7-carbamoylpentadecanoic acid

C16H31NO3 — CID 140987363

IUPAC7-carbamoylpentadecanoic acid
SMILESCCCCCCCCC(CCCCCC(=O)O)C(N)=O
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-8-11-14(16(17)20)12-9-7-10-13-15(18)19/h14H,2-13H2,1H3,(H2,17,20)(H,18,19)
InChIKeyKKWFAPSTHXYZHK-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.87
Rot. Bonds14

About 7-carbamoylpentadecanoic acid

7-carbamoylpentadecanoic acid (PubChem CID 140987363) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 7-carbamoylpentadecanoic acid.

Molecular Properties

Compound Name7-carbamoylpentadecanoic acid
PubChem CID140987363
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name7-carbamoylpentadecanoic acid
SMILESCCCCCCCCC(CCCCCC(=O)O)C(N)=O
InChIInChI=1S/C16H31NO3/c1-2-3-4-5-6-8-11-14(16(17)20)12-9-7-10-13-15(18)19/h14H,2-13H2,1H3,(H2,17,20)(H,18,19)
InChIKeyKKWFAPSTHXYZHK-UHFFFAOYSA-N
XLogP3.87
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-carbamoylpentadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-carbamoyltricosanoic acid
CID 118615002
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-undecylhexanediamide
CID 174629940
2-octyltridecanedioic acid
CID 4026101
2-octylheptanedioic acid
CID 14718571
2-octyltetradecanedioic acid
CID 21327661
hentriacontane-1,19,26-tricarboxylic acid
CID 174861570
dodecanoic acid;2-hexyldodecanoic acid
CID 161039741

Frequently Asked Questions

What is the IUPAC name of 7-carbamoylpentadecanoic acid?
The IUPAC name of 7-carbamoylpentadecanoic acid (CID 140987363) is 7-carbamoylpentadecanoic acid.
What is the SMILES notation for 7-carbamoylpentadecanoic acid?
The canonical SMILES for 7-carbamoylpentadecanoic acid is CCCCCCCCC(CCCCCC(=O)O)C(N)=O.
What is the InChIKey of 7-carbamoylpentadecanoic acid?
The InChIKey is KKWFAPSTHXYZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-2-3-4-5-6-8-11-14(16(17)20)12-9-7-10-13-15(18)19/h14H,2-13H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 7-carbamoylpentadecanoic acid?
7-carbamoylpentadecanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.87, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbamoylpentadecanoic acid is sourced from PubChem (CID 140987363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).