2-methyl-N-tetradecan-2-ylprop-2-enamide

C18H35NO — CID 91551786

IUPAC2-methyl-N-tetradecan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)CCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)19-18(20)16(2)3/h17H,2,5-15H2,1,3-4H3,(H,19,20)
InChIKeyCNTJWNVLWHFIKH-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.38
Rot. Bonds13

About 2-methyl-N-tetradecan-2-ylprop-2-enamide

2-methyl-N-tetradecan-2-ylprop-2-enamide (PubChem CID 91551786) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-methyl-N-tetradecan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-tetradecan-2-ylprop-2-enamide
PubChem CID91551786
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-methyl-N-tetradecan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)CCCCCCCCCCCC
InChIInChI=1S/C18H35NO/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)19-18(20)16(2)3/h17H,2,5-15H2,1,3-4H3,(H,19,20)
InChIKeyCNTJWNVLWHFIKH-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

2-Propenamide, N-(1-methylundecyl)-
CID 114489
N-(3-methacrylamidopropyl)-N,N-dimethyldodecan-1-aminium bromide
CID 87379589
N-Tetradecylacrylamide
CID 3016236
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-Dodecylmethacrylamide
CID 70928
Octadecylacrylamide
CID 73930
N-Cyclohexylmethacrylamide
CID 76215
N-Hexadecylacrylamide
CID 88828
3-(Methacryloylamino)propyllauryldimethylammonium chloride
CID 23064988
n-Hexylmethacrylamide
CID 20566085
Methacrylamide, N-heptyl-
CID 22247405
Methacrylamide, N-pentyl-
CID 22247407

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-tetradecan-2-ylprop-2-enamide?
The IUPAC name of 2-methyl-N-tetradecan-2-ylprop-2-enamide (CID 91551786) is 2-methyl-N-tetradecan-2-ylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-tetradecan-2-ylprop-2-enamide?
The canonical SMILES for 2-methyl-N-tetradecan-2-ylprop-2-enamide is C=C(C)C(=O)NC(C)CCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-tetradecan-2-ylprop-2-enamide?
The InChIKey is CNTJWNVLWHFIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-6-7-8-9-10-11-12-13-14-15-17(4)19-18(20)16(2)3/h17H,2,5-15H2,1,3-4H3,(H,19,20).
What are the key properties of 2-methyl-N-tetradecan-2-ylprop-2-enamide?
2-methyl-N-tetradecan-2-ylprop-2-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.38, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-tetradecan-2-ylprop-2-enamide is sourced from PubChem (CID 91551786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).