7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid

C23H23NO3 — CID 23017167

IUPAC7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid
SMILESCC(C)CC(NC(=O)c1ccc2cccc(C(=O)O)c2c1)c1ccccc1
InChIInChI=1S/C23H23NO3/c1-15(2)13-21(17-7-4-3-5-8-17)24-22(25)18-12-11-16-9-6-10-19(23(26)27)20(16)14-18/h3-12,14-15,21H,13H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyNVVHXEUDIQYUGJ-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.06
Rot. Bonds6

About 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid

7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid (PubChem CID 23017167) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid
PubChem CID23017167
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid
SMILESCC(C)CC(NC(=O)c1ccc2cccc(C(=O)O)c2c1)c1ccccc1
InChIInChI=1S/C23H23NO3/c1-15(2)13-21(17-7-4-3-5-8-17)24-22(25)18-12-11-16-9-6-10-19(23(26)27)20(16)14-18/h3-12,14-15,21H,13H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyNVVHXEUDIQYUGJ-UHFFFAOYSA-N
XLogP5.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
CID 28577439
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
N-[(1S)-3-methyl-1-phenylbutyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 30387379
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid?
The IUPAC name of 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid (CID 23017167) is 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid is CC(C)CC(NC(=O)c1ccc2cccc(C(=O)O)c2c1)c1ccccc1.
What is the InChIKey of 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid?
The InChIKey is NVVHXEUDIQYUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15(2)13-21(17-7-4-3-5-8-17)24-22(25)18-12-11-16-9-6-10-19(23(26)27)20(16)14-18/h3-12,14-15,21H,13H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid?
7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid has a molecular weight of 361.44 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 23017167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).