2-carbamoylhexadecanoic acid

C17H33NO3 — CID 172818471

IUPAC2-carbamoylhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(C(N)=O)C(=O)O
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H2,18,19)(H,20,21)
InChIKeyTWWLNAHRGYDLKN-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.26
Rot. Bonds15

About 2-carbamoylhexadecanoic acid

2-carbamoylhexadecanoic acid (PubChem CID 172818471) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-carbamoylhexadecanoic acid.

Molecular Properties

Compound Name2-carbamoylhexadecanoic acid
PubChem CID172818471
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name2-carbamoylhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(C(N)=O)C(=O)O
InChIInChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H2,18,19)(H,20,21)
InChIKeyTWWLNAHRGYDLKN-UHFFFAOYSA-N
XLogP4.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-carbamoylheptanoic acid;hydrochloride
CID 175556394
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2-(1-hydroxyethenyl)tetradecanamide
CID 141206460
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
2-butylpropanediamide
CID 2317243
2-carbamothioylheptanoic acid
CID 89373370
2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459
bis(2-aminoethanol);2-undecylpropanedioic acid
CID 173051434

Frequently Asked Questions

What is the IUPAC name of 2-carbamoylhexadecanoic acid?
The IUPAC name of 2-carbamoylhexadecanoic acid (CID 172818471) is 2-carbamoylhexadecanoic acid.
What is the SMILES notation for 2-carbamoylhexadecanoic acid?
The canonical SMILES for 2-carbamoylhexadecanoic acid is CCCCCCCCCCCCCCC(C(N)=O)C(=O)O.
What is the InChIKey of 2-carbamoylhexadecanoic acid?
The InChIKey is TWWLNAHRGYDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H2,18,19)(H,20,21).
What are the key properties of 2-carbamoylhexadecanoic acid?
2-carbamoylhexadecanoic acid has a molecular weight of 299.46 g/mol, XLogP of 4.26, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylhexadecanoic acid is sourced from PubChem (CID 172818471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).