2-methylidenepentadecanamide

C16H31NO — CID 57359889

IUPAC2-methylidenepentadecanamide
SMILESC=C(CCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18/h2-14H2,1H3,(H2,17,18)
InChIKeyDKXHZKJJZVUYRX-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.73
Rot. Bonds13

About 2-methylidenepentadecanamide

2-methylidenepentadecanamide (PubChem CID 57359889) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-methylidenepentadecanamide.

Molecular Properties

Compound Name2-methylidenepentadecanamide
PubChem CID57359889
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-methylidenepentadecanamide
SMILESC=C(CCCCCCCCCCCCC)C(N)=O
InChIInChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18/h2-14H2,1H3,(H2,17,18)
InChIKeyDKXHZKJJZVUYRX-UHFFFAOYSA-N
XLogP4.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
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

2-methylidenetridecanamide
CID 22648504
(Z)-2-methylideneicos-11-enamide
CID 87373212
2,13-dimethylidenetetradecanediamide
CID 87303548
2,9-dimethylidenedecanediamide
CID 22052797
3-methylidenenonan-2-one
CID 3017847
hexadecanoic acid;2-methylidenebutanamide
CID 175059010
11-methylidenetricosan-12-one
CID 146586592
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal
CID 86754028
N,N-dimethyldodecan-1-amine;2-methylidenepentanamide;hydrobromide
CID 173350246
tetrapentacontanamide
CID 139682680

Frequently Asked Questions

What is the IUPAC name of 2-methylidenepentadecanamide?
The IUPAC name of 2-methylidenepentadecanamide (CID 57359889) is 2-methylidenepentadecanamide.
What is the SMILES notation for 2-methylidenepentadecanamide?
The canonical SMILES for 2-methylidenepentadecanamide is C=C(CCCCCCCCCCCCC)C(N)=O.
What is the InChIKey of 2-methylidenepentadecanamide?
The InChIKey is DKXHZKJJZVUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18/h2-14H2,1H3,(H2,17,18).
What are the key properties of 2-methylidenepentadecanamide?
2-methylidenepentadecanamide has a molecular weight of 253.43 g/mol, XLogP of 4.73, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepentadecanamide is sourced from PubChem (CID 57359889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).