N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide

C20H24N2O3 — CID 126449357

IUPACN-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide
SMILESCCCC[C@@H](NC(=O)c1ccc(-c2cc(C)ccc2O)cc1)C(N)=O
InChIInChI=1S/C20H24N2O3/c1-3-4-5-17(19(21)24)22-20(25)15-9-7-14(8-10-15)16-12-13(2)6-11-18(16)23/h6-12,17,23H,3-5H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m1/s1
InChIKeyCUZMBHNKIIYZSQ-QGZVFWFLSA-N
MW340.42 g/mol
LogP3.14
Rot. Bonds7

About N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide

N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide (PubChem CID 126449357) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide
PubChem CID126449357
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide
SMILESCCCC[C@@H](NC(=O)c1ccc(-c2cc(C)ccc2O)cc1)C(N)=O
InChIInChI=1S/C20H24N2O3/c1-3-4-5-17(19(21)24)22-20(25)15-9-7-14(8-10-15)16-12-13(2)6-11-18(16)23/h6-12,17,23H,3-5H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m1/s1
InChIKeyCUZMBHNKIIYZSQ-QGZVFWFLSA-N
XLogP3.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-amino-4-[[4-(2,5-dimethylphenyl)benzoyl]amino]-5-oxopentanoic acid
CID 67332881
N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide
CID 119068625
4-methyl-N-(2-oxodecan-3-yl)benzamide
CID 174640324
N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide
CID 70883939
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
ethyl 2-[(4-methylbenzoyl)carbamothioylamino]hexanoate
CID 3693234
(2S)-5-amino-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 22838808
5-[3-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 126431934
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
methyl (2S)-2-[(4-aminobenzoyl)amino]hexanoate
CID 59948600
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide (CID 126449357) is N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide is CCCC[C@@H](NC(=O)c1ccc(-c2cc(C)ccc2O)cc1)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide?
The InChIKey is CUZMBHNKIIYZSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-4-5-17(19(21)24)22-20(25)15-9-7-14(8-10-15)16-12-13(2)6-11-18(16)23/h6-12,17,23H,3-5H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide?
N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide is sourced from PubChem (CID 126449357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).