3-methylpentadec-2-enamide

C16H31NO — CID 174903366

IUPAC3-methylpentadec-2-enamide
SMILESCCCCCCCCCCCCC(C)=CC(N)=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16(17)18/h14H,3-13H2,1-2H3,(H2,17,18)
InChIKeyCZMNFWFSSQLLIY-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.73
Rot. Bonds12

About 3-methylpentadec-2-enamide

3-methylpentadec-2-enamide (PubChem CID 174903366) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-methylpentadec-2-enamide.

Molecular Properties

Compound Name3-methylpentadec-2-enamide
PubChem CID174903366
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-methylpentadec-2-enamide
SMILESCCCCCCCCCCCCC(C)=CC(N)=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16(17)18/h14H,3-13H2,1-2H3,(H2,17,18)
InChIKeyCZMNFWFSSQLLIY-UHFFFAOYSA-N
XLogP4.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.73
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

(E)-4-methyldodec-3-en-2-one
CID 19609505
4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
2-octadecylbut-2-enediamide
CID 73412414
(Z)-2-tetradecylbut-2-enediamide
CID 174956271
ethyl (Z)-3-methylundec-2-enoate
CID 89095878
(2E,4E)-3,5-dimethylicosa-2,4-dienoic acid
CID 11056828
methyl (Z)-3-methyloct-2-enoate
CID 14332772
octadecakis(hexane);nonan-2-one
CID 173226284
tricosan-2-one
CID 529806
docosan-2-one
CID 522660

Frequently Asked Questions

What is the IUPAC name of 3-methylpentadec-2-enamide?
The IUPAC name of 3-methylpentadec-2-enamide (CID 174903366) is 3-methylpentadec-2-enamide.
What is the SMILES notation for 3-methylpentadec-2-enamide?
The canonical SMILES for 3-methylpentadec-2-enamide is CCCCCCCCCCCCC(C)=CC(N)=O.
What is the InChIKey of 3-methylpentadec-2-enamide?
The InChIKey is CZMNFWFSSQLLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16(17)18/h14H,3-13H2,1-2H3,(H2,17,18).
What are the key properties of 3-methylpentadec-2-enamide?
3-methylpentadec-2-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentadec-2-enamide is sourced from PubChem (CID 174903366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).