8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid

C18H21NO3 — CID 16774584

IUPAC8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid
SMILESCCCN(CCC)C(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C18H21NO3/c1-3-11-19(12-4-2)17(20)14-9-5-7-13-8-6-10-15(16(13)14)18(21)22/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)
InChIKeySUAGVNDVHHUBDA-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.80
Rot. Bonds6

About 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid

8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid (PubChem CID 16774584) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid
PubChem CID16774584
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid
SMILESCCCN(CCC)C(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C18H21NO3/c1-3-11-19(12-4-2)17(20)14-9-5-7-13-8-6-10-15(16(13)14)18(21)22/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)
InChIKeySUAGVNDVHHUBDA-UHFFFAOYSA-N
XLogP3.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(dipropylcarbamoyl)naphthalene-1-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

benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
CID 4638443
2-amino-N,N-dipropylbenzamide
CID 16769117
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
CID 61042461
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide
CID 10311421
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
CID 63393170

Frequently Asked Questions

What is the IUPAC name of 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid (CID 16774584) is 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid is CCCN(CCC)C(=O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid?
The InChIKey is SUAGVNDVHHUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-11-19(12-4-2)17(20)14-9-5-7-13-8-6-10-15(16(13)14)18(21)22/h5-10H,3-4,11-12H2,1-2H3,(H,21,22).
What are the key properties of 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid?
8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 16774584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).