2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate

C92H148N12O20 — CID 158398329

IUPAC2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)NC(C)N1CCCCCC1=O.C=C(C)C(=O)NCCN1CCCCCC1=O.C=C(C)C(=O)OC(C)N1CCCCCC1=O.C=C(C)C(=O)OCCN1CCCCCC1=O.C=CC(=O)NC(C)N1CCCCCC1=O.C=CC(=O)NCCN1CCCCCC1=O.C=CC(=O)OC(C)N1CCCCCC1=O.C=CC(=O)OCCN1CCCCCC1=O
InChIInChI=1S/2C12H20N2O2.2C12H19NO3.2C11H18N2O2.2C11H17NO3/c1-9(2)12(16)13-10(3)14-8-6-4-5-7-11(14)15;1-10(2)12(16)13-7-9-14-8-5-3-4-6-11(14)15;1-9(2)12(15)16-10(3)13-8-6-4-5-7-11(13)14;1-10(2)12(15)16-9-8-13-7-5-3-4-6-11(13)14;1-3-10(14)12-9(2)13-8-6-4-5-7-11(13)15;1-2-10(14)12-7-9-13-8-5-3-4-6-11(13)15;1-3-11(14)15-9(2)12-8-6-4-5-7-10(12)13;1-2-11(14)15-9-8-12-7-5-3-4-6-10(12)13/h10H,1,4-8H2,2-3H3,(H,13,16);1,3-9H2,2H3,(H,13,16);10H,1,4-8H2,2-3H3;1,3-9H2,2H3;3,9H,1,4-8H2,2H3,(H,12,14);2H,1,3-9H2,(H,12,14);3,9H,1,4-8H2,2H3;2H,1,3-9H2
InChIKeyGXUGXXVZQRXOJL-UHFFFAOYSA-N
MW1742.26 g/mol
LogP10.18
Rot. Bonds28

About 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate

2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate (PubChem CID 158398329) has the molecular formula C92H148N12O20 and a molecular weight of 1742.26 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate
PubChem CID158398329
Molecular FormulaC92H148N12O20
Molecular Weight1742.26 g/mol
Exact Mass1741.09
IUPAC Name2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate
SMILESC=C(C)C(=O)NC(C)N1CCCCCC1=O.C=C(C)C(=O)NCCN1CCCCCC1=O.C=C(C)C(=O)OC(C)N1CCCCCC1=O.C=C(C)C(=O)OCCN1CCCCCC1=O.C=CC(=O)NC(C)N1CCCCCC1=O.C=CC(=O)NCCN1CCCCCC1=O.C=CC(=O)OC(C)N1CCCCCC1=O.C=CC(=O)OCCN1CCCCCC1=O
InChIInChI=1S/2C12H20N2O2.2C12H19NO3.2C11H18N2O2.2C11H17NO3/c1-9(2)12(16)13-10(3)14-8-6-4-5-7-11(14)15;1-10(2)12(16)13-7-9-14-8-5-3-4-6-11(14)15;1-9(2)12(15)16-10(3)13-8-6-4-5-7-11(13)14;1-10(2)12(15)16-9-8-13-7-5-3-4-6-11(13)14;1-3-10(14)12-9(2)13-8-6-4-5-7-11(13)15;1-2-10(14)12-7-9-13-8-5-3-4-6-11(13)15;1-3-11(14)15-9(2)12-8-6-4-5-7-10(12)13;1-2-11(14)15-9-8-12-7-5-3-4-6-10(12)13/h10H,1,4-8H2,2-3H3,(H,13,16);1,3-9H2,2H3,(H,13,16);10H,1,4-8H2,2-3H3;1,3-9H2,2H3;3,9H,1,4-8H2,2H3,(H,12,14);2H,1,3-9H2,(H,12,14);3,9H,1,4-8H2,2H3;2H,1,3-9H2
InChIKeyGXUGXXVZQRXOJL-UHFFFAOYSA-N
XLogP10.18
TPSA384.08 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.26
LogP ≤ 510.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate (CID 158398329) is 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate is C=C(C)C(=O)NC(C)N1CCCCCC1=O.C=C(C)C(=O)NCCN1CCCCCC1=O.C=C(C)C(=O)OC(C)N1CCCCCC1=O.C=C(C)C(=O)OCCN1CCCCCC1=O.C=CC(=O)NC(C)N1CCCCCC1=O.C=CC(=O)NCCN1CCCCCC1=O.C=CC(=O)OC(C)N1CCCCCC1=O.C=CC(=O)OCCN1CCCCCC1=O.
What is the InChIKey of 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate?
The InChIKey is GXUGXXVZQRXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N2O2.2C12H19NO3.2C11H18N2O2.2C11H17NO3/c1-9(2)12(16)13-10(3)14-8-6-4-5-7-11(14)15;1-10(2)12(16)13-7-9-14-8-5-3-4-6-11(14)15;1-9(2)12(15)16-10(3)13-8-6-4-5-7-11(13)14;1-10(2)12(15)16-9-8-13-7-5-3-4-6-11(13)14;1-3-10(14)12-9(2)13-8-6-4-5-7-11(13)15;1-2-10(14)12-7-9-13-8-5-3-4-6-11(13)15;1-3-11(14)15-9(2)12-8-6-4-5-7-10(12)13;1-2-11(14)15-9-8-12-7-5-3-4-6-10(12)13/h10H,1,4-8H2,2-3H3,(H,13,16);1,3-9H2,2H3,(H,13,16);10H,1,4-8H2,2-3H3;1,3-9H2,2H3;3,9H,1,4-8H2,2H3,(H,12,14);2H,1,3-9H2,(H,12,14);3,9H,1,4-8H2,2H3;2H,1,3-9H2.
What are the key properties of 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate?
2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate has a molecular weight of 1742.26 g/mol, XLogP of 10.18, 28 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;2-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;2-(2-oxoazepan-1-yl)ethyl 2-methylprop-2-enoate;N-[1-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;N-[2-(2-oxoazepan-1-yl)ethyl]prop-2-enamide;1-(2-oxoazepan-1-yl)ethyl prop-2-enoate;2-(2-oxoazepan-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 158398329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).