6-(propylcarbamoyl)naphthalene-2-carboxylic acid

C15H15NO3 — CID 139642234

IUPAC6-(propylcarbamoyl)naphthalene-2-carboxylic acid
SMILESCCCNC(=O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C15H15NO3/c1-2-7-16-14(17)12-5-3-11-9-13(15(18)19)6-4-10(11)8-12/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyMCKWWTLGGLPTRF-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.68
Rot. Bonds4

About 6-(propylcarbamoyl)naphthalene-2-carboxylic acid

6-(propylcarbamoyl)naphthalene-2-carboxylic acid (PubChem CID 139642234) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(propylcarbamoyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(propylcarbamoyl)naphthalene-2-carboxylic acid
PubChem CID139642234
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-(propylcarbamoyl)naphthalene-2-carboxylic acid
SMILESCCCNC(=O)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C15H15NO3/c1-2-7-16-14(17)12-5-3-11-9-13(15(18)19)6-4-10(11)8-12/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyMCKWWTLGGLPTRF-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(propylcarbamoyl)naphthalene-2-carboxylic 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

N-propylnaphthalene-2-carboxamide
CID 6624536
2-hydroxy-4-(propylcarbamoyl)benzoic acid
CID 162361701
N-pentylnaphthalene-2-carboxamide
CID 91722098
5-hydroxy-N-propylnaphthalene-2-carboxamide
CID 172677586
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
CID 58451849
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115

Frequently Asked Questions

What is the IUPAC name of 6-(propylcarbamoyl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(propylcarbamoyl)naphthalene-2-carboxylic acid (CID 139642234) is 6-(propylcarbamoyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(propylcarbamoyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(propylcarbamoyl)naphthalene-2-carboxylic acid is CCCNC(=O)c1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-(propylcarbamoyl)naphthalene-2-carboxylic acid?
The InChIKey is MCKWWTLGGLPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-7-16-14(17)12-5-3-11-9-13(15(18)19)6-4-10(11)8-12/h3-6,8-9H,2,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(propylcarbamoyl)naphthalene-2-carboxylic acid?
6-(propylcarbamoyl)naphthalene-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylcarbamoyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 139642234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).