8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid

C17H19NO3 — CID 43396392

IUPAC8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
SMILESCC(C)CCNC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C17H19NO3/c1-11(2)9-10-18-16(19)13-7-3-5-12-6-4-8-14(15(12)13)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMIJLXRIEUUHWEV-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.31
Rot. Bonds5

About 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid

8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid (PubChem CID 43396392) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
PubChem CID43396392
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
SMILESCC(C)CCNC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C17H19NO3/c1-11(2)9-10-18-16(19)13-7-3-5-12-6-4-8-14(15(12)13)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMIJLXRIEUUHWEV-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
CID 4638443
8-(2-sulfoethylcarbamoyl)naphthalene-1-carboxylic acid
CID 87260631
8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid
CID 66178018
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
CID 134132713
8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
CID 64974107
8-[[(2R)-1-hydroxybutan-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 107214770
2-ethynyl-N-(3-methylbutyl)benzamide
CID 87312816
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid (CID 43396392) is 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid is CC(C)CCNC(=O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid?
The InChIKey is MIJLXRIEUUHWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(2)9-10-18-16(19)13-7-3-5-12-6-4-8-14(15(12)13)17(20)21/h3-8,11H,9-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid?
8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 43396392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).