N-methyl-N-[(E)-pentadec-2-enyl]formamide

C17H33NO — CID 121306688

IUPACN-methyl-N-[(E)-pentadec-2-enyl]formamide
SMILESCCCCCCCCCCCC/C=C/CN(C)C=O
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h14-15,17H,3-13,16H2,1-2H3/b15-14+
InChIKeyMWPRXGLIJQFVNT-CCEZHUSRSA-N
MW267.46 g/mol
LogP4.94
Rot. Bonds14

About N-methyl-N-[(E)-pentadec-2-enyl]formamide

N-methyl-N-[(E)-pentadec-2-enyl]formamide (PubChem CID 121306688) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-N-[(E)-pentadec-2-enyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-pentadec-2-enyl]formamide
PubChem CID121306688
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-methyl-N-[(E)-pentadec-2-enyl]formamide
SMILESCCCCCCCCCCCC/C=C/CN(C)C=O
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h14-15,17H,3-13,16H2,1-2H3/b15-14+
InChIKeyMWPRXGLIJQFVNT-CCEZHUSRSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-hexadec-2-enyl]-N-methylformamide
CID 118030355
N-methyl-N-oct-1-enylnon-2-en-1-amine
CID 175378842
N,N-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
(E)-nonacos-10-ene
CID 14367300
(Z)-docos-9-ene
CID 11690102
(Z)-tricos-11-ene
CID 5356790
(E)-hexacos-10-ene
CID 22172169
(E)-hexadec-6-ene
CID 5352260
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-pentadec-2-enyl]formamide?
The IUPAC name of N-methyl-N-[(E)-pentadec-2-enyl]formamide (CID 121306688) is N-methyl-N-[(E)-pentadec-2-enyl]formamide.
What is the SMILES notation for N-methyl-N-[(E)-pentadec-2-enyl]formamide?
The canonical SMILES for N-methyl-N-[(E)-pentadec-2-enyl]formamide is CCCCCCCCCCCC/C=C/CN(C)C=O.
What is the InChIKey of N-methyl-N-[(E)-pentadec-2-enyl]formamide?
The InChIKey is MWPRXGLIJQFVNT-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)17-19/h14-15,17H,3-13,16H2,1-2H3/b15-14+.
What are the key properties of N-methyl-N-[(E)-pentadec-2-enyl]formamide?
N-methyl-N-[(E)-pentadec-2-enyl]formamide has a molecular weight of 267.46 g/mol, XLogP of 4.94, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-pentadec-2-enyl]formamide is sourced from PubChem (CID 121306688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).