N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide

C18H20N2O3 — CID 150830185

IUPACN-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide
SMILESCC(C)C(NC(=O)c1ccccc1O)(C(N)=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12(2)18(17(19)23,13-8-4-3-5-9-13)20-16(22)14-10-6-7-11-15(14)21/h3-12,21H,1-2H3,(H2,19,23)(H,20,22)
InChIKeyKLUOIIJAPIXNBU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.16
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide

N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide (PubChem CID 150830185) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide
PubChem CID150830185
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide
SMILESCC(C)C(NC(=O)c1ccccc1O)(C(N)=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12(2)18(17(19)23,13-8-4-3-5-9-13)20-16(22)14-10-6-7-11-15(14)21/h3-12,21H,1-2H3,(H2,19,23)(H,20,22)
InChIKeyKLUOIIJAPIXNBU-UHFFFAOYSA-N
XLogP2.16
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-3-methyl-2-phenylbutanamide
CID 60996428
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
N-tert-butyl-2-hydroxybenzamide
CID 139189948
2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide
CID 60997141
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
2-[[(2R)-2-(2-chlorophenyl)-2-(phenylcarbamoylamino)acetyl]amino]-3-methyl-2-phenylbutanamide
CID 70274024
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
benzene;2-hydroxybenzamide
CID 157085280
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
N,2-dihydroxybenzamide;ethane
CID 91440405
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide (CID 150830185) is N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide is CC(C)C(NC(=O)c1ccccc1O)(C(N)=O)c1ccccc1.
What is the InChIKey of N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide?
The InChIKey is KLUOIIJAPIXNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)18(17(19)23,13-8-4-3-5-9-13)20-16(22)14-10-6-7-11-15(14)21/h3-12,21H,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide?
N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 150830185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).