N-methyl-N-pentadec-2-enylacetamide

C18H35NO — CID 123664370

IUPACN-methyl-N-pentadec-2-enylacetamide
SMILESCCCCCCCCCCCCC=CCN(C)C(C)=O
InChIInChI=1S/C18H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20/h15-16H,4-14,17H2,1-3H3
InChIKeyOJJCLHLIXZDEPB-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.33
Rot. Bonds13

About N-methyl-N-pentadec-2-enylacetamide

N-methyl-N-pentadec-2-enylacetamide (PubChem CID 123664370) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-methyl-N-pentadec-2-enylacetamide.

Molecular Properties

Compound NameN-methyl-N-pentadec-2-enylacetamide
PubChem CID123664370
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-methyl-N-pentadec-2-enylacetamide
SMILESCCCCCCCCCCCCC=CCN(C)C(C)=O
InChIInChI=1S/C18H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20/h15-16H,4-14,17H2,1-3H3
InChIKeyOJJCLHLIXZDEPB-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

acetic acid;(E)-tetradec-7-ene
CID 174697247
carbonic acid;(Z)-octadec-9-ene
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N,N-dimethyltricos-2-en-1-amine;hydrochloride
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N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
N-[(E)-hexadec-2-enyl]-N-methylformamide
CID 118030355
N-methyl-N-[(E)-pentadec-2-enyl]formamide
CID 121306688
(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide
CID 158023886
(Z)-heptadec-7-en-2-one
CID 90307080
acetic acid;(Z)-dec-3-ene
CID 174912778
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
heptatriaconta-6,28-dien-2-one
CID 549930

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentadec-2-enylacetamide?
The IUPAC name of N-methyl-N-pentadec-2-enylacetamide (CID 123664370) is N-methyl-N-pentadec-2-enylacetamide.
What is the SMILES notation for N-methyl-N-pentadec-2-enylacetamide?
The canonical SMILES for N-methyl-N-pentadec-2-enylacetamide is CCCCCCCCCCCCC=CCN(C)C(C)=O.
What is the InChIKey of N-methyl-N-pentadec-2-enylacetamide?
The InChIKey is OJJCLHLIXZDEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20/h15-16H,4-14,17H2,1-3H3.
What are the key properties of N-methyl-N-pentadec-2-enylacetamide?
N-methyl-N-pentadec-2-enylacetamide has a molecular weight of 281.48 g/mol, XLogP of 5.33, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentadec-2-enylacetamide is sourced from PubChem (CID 123664370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).