N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide

C22H22N2O3 — CID 143144429

IUPACN-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCC(C)CNC(=O)c1c(O)cccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-14(2)13-23-22(27)20-18(11-6-12-19(20)25)24-21(26)17-10-5-8-15-7-3-4-9-16(15)17/h3-12,14,25H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYCMJQKNRUCSYBQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.18
Rot. Bonds5

About N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide

N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 143144429) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID143144429
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCC(C)CNC(=O)c1c(O)cccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H22N2O3/c1-14(2)13-23-22(27)20-18(11-6-12-19(20)25)24-21(26)17-10-5-8-15-7-3-4-9-16(15)17/h3-12,14,25H,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyYCMJQKNRUCSYBQ-UHFFFAOYSA-N
XLogP4.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-sulfanylethyl)phenyl]naphthalene-1-carboxamide
CID 10686182
N-(2-hydroxypropyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
CID 11595469
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
N-[2-(cyclobutylmethylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
CID 11560152
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
CID 66165230

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 143144429) is N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide is CC(C)CNC(=O)c1c(O)cccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is YCMJQKNRUCSYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14(2)13-23-22(27)20-18(11-6-12-19(20)25)24-21(26)17-10-5-8-15-7-3-4-9-16(15)17/h3-12,14,25H,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide?
N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(2-methylpropylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 143144429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).