[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate

C22H22N2O4 — CID 59938515

IUPAC[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate
SMILESCc1ccccc1NC(=O)c1cc(OC(=O)NC(C)C)c2ccccc2c1O
InChIInChI=1S/C22H22N2O4/c1-13(2)23-22(27)28-19-12-17(20(25)16-10-6-5-9-15(16)19)21(26)24-18-11-7-4-8-14(18)3/h4-13,25H,1-3H3,(H,23,27)(H,24,26)
InChIKeyKMVJYEMHAVKJSP-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.60
Rot. Bonds4

About [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate

[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate (PubChem CID 59938515) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate
PubChem CID59938515
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate
SMILESCc1ccccc1NC(=O)c1cc(OC(=O)NC(C)C)c2ccccc2c1O
InChIInChI=1S/C22H22N2O4/c1-13(2)23-22(27)28-19-12-17(20(25)16-10-6-5-9-15(16)19)21(26)24-18-11-7-4-8-14(18)3/h4-13,25H,1-3H3,(H,23,27)(H,24,26)
InChIKeyKMVJYEMHAVKJSP-UHFFFAOYSA-N
XLogP4.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-4-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 20719420
[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] 2-[benzotriazole-1-carbonyl(methyl)amino]benzoate
CID 21053732
3-[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl]sulfanylpropanoic acid
CID 23556561
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
1-hydroxy-4-[[4-(hydroxymethyl)-4-methyl-2-(2-methylphenyl)-5-oxopyrazolidin-1-yl]methoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 59899928
(2-methylphenyl) N-(1-hydroxyethyl)carbamate
CID 175546454
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
(1-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 70693146
4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide
CID 145216667
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate?
The IUPAC name of [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate (CID 59938515) is [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate is Cc1ccccc1NC(=O)c1cc(OC(=O)NC(C)C)c2ccccc2c1O.
What is the InChIKey of [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate?
The InChIKey is KMVJYEMHAVKJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13(2)23-22(27)28-19-12-17(20(25)16-10-6-5-9-15(16)19)21(26)24-18-11-7-4-8-14(18)3/h4-13,25H,1-3H3,(H,23,27)(H,24,26).
What are the key properties of [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate?
[4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate has a molecular weight of 378.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-[(2-methylphenyl)carbamoyl]naphthalen-1-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 59938515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).