N,N-dimethylpentadec-2-enamide

C17H33NO — CID 123899063

IUPACN,N-dimethylpentadec-2-enamide
SMILESCCCCCCCCCCCCC=CC(=O)N(C)C
InChIInChI=1S/C17H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(2)3/h15-16H,4-14H2,1-3H3
InChIKeyWNESKFFSBBWPFB-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.94
Rot. Bonds12

About N,N-dimethylpentadec-2-enamide

N,N-dimethylpentadec-2-enamide (PubChem CID 123899063) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N,N-dimethylpentadec-2-enamide.

Molecular Properties

Compound NameN,N-dimethylpentadec-2-enamide
PubChem CID123899063
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN,N-dimethylpentadec-2-enamide
SMILESCCCCCCCCCCCCC=CC(=O)N(C)C
InChIInChI=1S/C17H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(2)3/h15-16H,4-14H2,1-3H3
InChIKeyWNESKFFSBBWPFB-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyldeca-2,4-dienamide
CID 123964212
N-ethyl-N-propyldec-2-enamide
CID 123659477
3-[hexadec-2-enoyl(methyl)amino]propanoic acid
CID 139936776
undec-2-enoic acid
CID 519180
iron;(E)-oct-2-enoic acid
CID 89456364
non-2-enoyl fluoride
CID 85320706
trideca-2,6-dienamide
CID 163862607
(Z)-non-2-enamide
CID 97047009
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245
icosa-2,11-dienoic acid
CID 54537818
bis(heptadec-2-enoic acid);zinc
CID 172555643

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpentadec-2-enamide?
The IUPAC name of N,N-dimethylpentadec-2-enamide (CID 123899063) is N,N-dimethylpentadec-2-enamide.
What is the SMILES notation for N,N-dimethylpentadec-2-enamide?
The canonical SMILES for N,N-dimethylpentadec-2-enamide is CCCCCCCCCCCCC=CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylpentadec-2-enamide?
The InChIKey is WNESKFFSBBWPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of N,N-dimethylpentadec-2-enamide?
N,N-dimethylpentadec-2-enamide has a molecular weight of 267.46 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpentadec-2-enamide is sourced from PubChem (CID 123899063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).