2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid

C25H35NO3 — CID 139753350

IUPAC2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid
SMILESCCCCCCCCCCCC(=O)N(c1ccc2ccccc2c1)C(C)C(=O)O
InChIInChI=1S/C25H35NO3/c1-3-4-5-6-7-8-9-10-11-16-24(27)26(20(2)25(28)29)23-18-17-21-14-12-13-15-22(21)19-23/h12-15,17-20H,3-11,16H2,1-2H3,(H,28,29)
InChIKeyJCZRQZPELFMUOO-UHFFFAOYSA-N
MW397.56 g/mol
LogP6.57
Rot. Bonds13

About 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid

2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid (PubChem CID 139753350) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid
PubChem CID139753350
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid
SMILESCCCCCCCCCCCC(=O)N(c1ccc2ccccc2c1)C(C)C(=O)O
InChIInChI=1S/C25H35NO3/c1-3-4-5-6-7-8-9-10-11-16-24(27)26(20(2)25(28)29)23-18-17-21-14-12-13-15-22(21)19-23/h12-15,17-20H,3-11,16H2,1-2H3,(H,28,29)
InChIKeyJCZRQZPELFMUOO-UHFFFAOYSA-N
XLogP6.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium (2R)-2-(N-hexadecanoylanilino)propanoate
CID 50899377
N-methyl-N-phenylnonanamide
CID 54136731
N-heptan-2-yl-N-(3-phenylphenyl)butanamide
CID 71106689
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
N-ethyl-N-phenyloctadecanamide
CID 151424183
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
pyrene;tetradecanoic acid
CID 161467828
decanoic acid;pyrene
CID 87535233
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295

Frequently Asked Questions

What is the IUPAC name of 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid?
The IUPAC name of 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid (CID 139753350) is 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid is CCCCCCCCCCCC(=O)N(c1ccc2ccccc2c1)C(C)C(=O)O.
What is the InChIKey of 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid?
The InChIKey is JCZRQZPELFMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-3-4-5-6-7-8-9-10-11-16-24(27)26(20(2)25(28)29)23-18-17-21-14-12-13-15-22(21)19-23/h12-15,17-20H,3-11,16H2,1-2H3,(H,28,29).
What are the key properties of 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid?
2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid has a molecular weight of 397.56 g/mol, XLogP of 6.57, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid is sourced from PubChem (CID 139753350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).