8-(pentylcarbamoyl)naphthalene-1-carboxylic acid

C17H19NO3 — CID 4638443

IUPAC8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
SMILESCCCCCNC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C17H19NO3/c1-2-3-4-11-18-16(19)13-9-5-7-12-8-6-10-14(15(12)13)17(20)21/h5-10H,2-4,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyLHDQKMVUODJQSG-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.46
Rot. Bonds6

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

8-(pentylcarbamoyl)naphthalene-1-carboxylic acid (PubChem CID 4638443) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
PubChem CID4638443
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
SMILESCCCCCNC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C17H19NO3/c1-2-3-4-11-18-16(19)13-9-5-7-12-8-6-10-14(15(12)13)17(20)21/h5-10H,2-4,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyLHDQKMVUODJQSG-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,8-bis(dodecylcarbamoyl)naphthalene-1,5-dicarboxylic acid
CID 58489306
5,8-bis(hexylcarbamoyl)naphthalene-1,4-dicarboxylic acid
CID 69296098
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
8-(2-sulfoethylcarbamoyl)naphthalene-1-carboxylic acid
CID 87260631
8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
CID 43396392
N-dodecylnaphthalene-1-carboxamide
CID 4278758
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
N-hexylpyrene-1-carboxamide
CID 15111775
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-diamino-N-hexadecylbenzamide
CID 68850287
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748

Frequently Asked Questions

What is the IUPAC name of 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid (CID 4638443) is 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid is CCCCCNC(=O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid?
The InChIKey is LHDQKMVUODJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-3-4-11-18-16(19)13-9-5-7-12-8-6-10-14(15(12)13)17(20)21/h5-10H,2-4,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid?
8-(pentylcarbamoyl)naphthalene-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pentylcarbamoyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 4638443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).