2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide

C120H194N14O28 — CID 159103791

IUPAC2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCN1CCCC1=O.C=C(C)C(=O)NCCCCCCN1CCCCCC1=O.C=C(C)C(=O)OCCCCCCN1CCCCCC1=O.C=CC(=O)NCCCCCCN1CCCC1=O.C=CC(=O)NCCCCCCN1CCCCCC1=O.C=CC(=O)OCCCCCCN1CCCCCC1=O.COC(=O)C=CC(=O)OCCN1CCCC1=O.O=C(O)C=CC(=O)NCCN1CCCC1=O.O=C(O)C=CC(=O)OCCN1CCCC1=O
InChIInChI=1S/C16H28N2O2.C16H27NO3.C15H26N2O2.C15H25NO3.C14H24N2O2.C13H22N2O2.C11H15NO5.C10H14N2O4.C10H13NO5/c1-14(2)16(20)17-11-7-3-4-8-12-18-13-9-5-6-10-15(18)19;1-14(2)16(19)20-13-9-4-3-7-11-17-12-8-5-6-10-15(17)18;1-2-14(18)16-11-7-3-4-8-12-17-13-9-5-6-10-15(17)19;1-2-15(18)19-13-9-4-3-7-11-16-12-8-5-6-10-14(16)17;1-12(2)14(18)15-9-5-3-4-6-10-16-11-7-8-13(16)17;1-2-12(16)14-9-5-3-4-6-10-15-11-7-8-13(15)17;1-16-10(14)4-5-11(15)17-8-7-12-6-2-3-9(12)13;13-8(3-4-10(15)16)11-5-7-12-6-1-2-9(12)14;12-8-2-1-5-11(8)6-7-16-10(15)4-3-9(13)14/h1,3-13H2,2H3,(H,17,20);1,3-13H2,2H3;2H,1,3-13H2,(H,16,18);2H,1,3-13H2;1,3-11H2,2H3,(H,15,18);2H,1,3-11H2,(H,14,16);4-5H,2-3,6-8H2,1H3;3-4H,1-2,5-7H2,(H,11,13)(H,15,16);3-4H,1-2,5-7H2,(H,13,14)
InChIKeyKDPULEQEALJLAM-UHFFFAOYSA-N
MW2280.94 g/mol
LogP13.01
Rot. Bonds63

About 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide

2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide (PubChem CID 159103791) has the molecular formula C120H194N14O28 and a molecular weight of 2280.94 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
PubChem CID159103791
Molecular FormulaC120H194N14O28
Molecular Weight2280.94 g/mol
Exact Mass2279.42
IUPAC Name2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCN1CCCC1=O.C=C(C)C(=O)NCCCCCCN1CCCCCC1=O.C=C(C)C(=O)OCCCCCCN1CCCCCC1=O.C=CC(=O)NCCCCCCN1CCCC1=O.C=CC(=O)NCCCCCCN1CCCCCC1=O.C=CC(=O)OCCCCCCN1CCCCCC1=O.COC(=O)C=CC(=O)OCCN1CCCC1=O.O=C(O)C=CC(=O)NCCN1CCCC1=O.O=C(O)C=CC(=O)OCCN1CCCC1=O
InChIInChI=1S/C16H28N2O2.C16H27NO3.C15H26N2O2.C15H25NO3.C14H24N2O2.C13H22N2O2.C11H15NO5.C10H14N2O4.C10H13NO5/c1-14(2)16(20)17-11-7-3-4-8-12-18-13-9-5-6-10-15(18)19;1-14(2)16(19)20-13-9-4-3-7-11-17-12-8-5-6-10-15(17)18;1-2-14(18)16-11-7-3-4-8-12-17-13-9-5-6-10-15(17)19;1-2-15(18)19-13-9-4-3-7-11-16-12-8-5-6-10-14(16)17;1-12(2)14(18)15-9-5-3-4-6-10-16-11-7-8-13(16)17;1-2-12(16)14-9-5-3-4-6-10-15-11-7-8-13(15)17;1-16-10(14)4-5-11(15)17-8-7-12-6-2-3-9(12)13;13-8(3-4-10(15)16)11-5-7-12-6-1-2-9(12)14;12-8-2-1-5-11(8)6-7-16-10(15)4-3-9(13)14/h1,3-13H2,2H3,(H,17,20);1,3-13H2,2H3;2H,1,3-13H2,(H,16,18);2H,1,3-13H2;1,3-11H2,2H3,(H,15,18);2H,1,3-11H2,(H,14,16);4-5H,2-3,6-8H2,1H3;3-4H,1-2,5-7H2,(H,11,13)(H,15,16);3-4H,1-2,5-7H2,(H,13,14)
InChIKeyKDPULEQEALJLAM-UHFFFAOYSA-N
XLogP13.01
TPSA534.39 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds63
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002280.94
LogP ≤ 513.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide (CID 159103791) is 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide is C=C(C)C(=O)NCCCCCCN1CCCC1=O.C=C(C)C(=O)NCCCCCCN1CCCCCC1=O.C=C(C)C(=O)OCCCCCCN1CCCCCC1=O.C=CC(=O)NCCCCCCN1CCCC1=O.C=CC(=O)NCCCCCCN1CCCCCC1=O.C=CC(=O)OCCCCCCN1CCCCCC1=O.COC(=O)C=CC(=O)OCCN1CCCC1=O.O=C(O)C=CC(=O)NCCN1CCCC1=O.O=C(O)C=CC(=O)OCCN1CCCC1=O.
What is the InChIKey of 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
The InChIKey is KDPULEQEALJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.C16H27NO3.C15H26N2O2.C15H25NO3.C14H24N2O2.C13H22N2O2.C11H15NO5.C10H14N2O4.C10H13NO5/c1-14(2)16(20)17-11-7-3-4-8-12-18-13-9-5-6-10-15(18)19;1-14(2)16(19)20-13-9-4-3-7-11-17-12-8-5-6-10-15(17)18;1-2-14(18)16-11-7-3-4-8-12-17-13-9-5-6-10-15(17)19;1-2-15(18)19-13-9-4-3-7-11-16-12-8-5-6-10-14(16)17;1-12(2)14(18)15-9-5-3-4-6-10-16-11-7-8-13(16)17;1-2-12(16)14-9-5-3-4-6-10-15-11-7-8-13(15)17;1-16-10(14)4-5-11(15)17-8-7-12-6-2-3-9(12)13;13-8(3-4-10(15)16)11-5-7-12-6-1-2-9(12)14;12-8-2-1-5-11(8)6-7-16-10(15)4-3-9(13)14/h1,3-13H2,2H3,(H,17,20);1,3-13H2,2H3;2H,1,3-13H2,(H,16,18);2H,1,3-13H2;1,3-11H2,2H3,(H,15,18);2H,1,3-11H2,(H,14,16);4-5H,2-3,6-8H2,1H3;3-4H,1-2,5-7H2,(H,11,13)(H,15,16);3-4H,1-2,5-7H2,(H,13,14).
What are the key properties of 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide?
2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide has a molecular weight of 2280.94 g/mol, XLogP of 13.01, 63 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide is sourced from PubChem (CID 159103791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).