2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide

C18H32N2O2 — CID 19382960

IUPAC2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCNC(=O)C(=C)C
InChIInChI=1S/C18H32N2O2/c1-15(2)17(21)19-13-11-9-7-5-6-8-10-12-14-20-18(22)16(3)4/h1,3,5-14H2,2,4H3,(H,19,21)(H,20,22)
InChIKeyBDNKJIWQXPMGCN-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.49
Rot. Bonds13

About 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide

2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide (PubChem CID 19382960) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide
PubChem CID19382960
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCCCNC(=O)C(=C)C
InChIInChI=1S/C18H32N2O2/c1-15(2)17(21)19-13-11-9-7-5-6-8-10-12-14-20-18(22)16(3)4/h1,3,5-14H2,2,4H3,(H,19,21)(H,20,22)
InChIKeyBDNKJIWQXPMGCN-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide (CID 19382960) is 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide is C=C(C)C(=O)NCCCCCCCCCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide?
The InChIKey is BDNKJIWQXPMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15(2)17(21)19-13-11-9-7-5-6-8-10-12-14-20-18(22)16(3)4/h1,3,5-14H2,2,4H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide?
2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide has a molecular weight of 308.47 g/mol, XLogP of 3.49, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[10-(2-methylprop-2-enoylamino)decyl]prop-2-enamide is sourced from PubChem (CID 19382960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).