(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide

C20H24N2O3 — CID 169181195

IUPAC(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-4-13(2)18(21)20(24)22-17-11-10-15(25-3)12-16(17)19(23)14-8-6-5-7-9-14/h5-13,18H,4,21H2,1-3H3,(H,22,24)/t13-,18-/m0/s1
InChIKeyWZEANFXUAGIYPJ-UGSOOPFHSA-N
MW340.42 g/mol
LogP3.24
Rot. Bonds7

About (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide (PubChem CID 169181195) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide
PubChem CID169181195
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-4-13(2)18(21)20(24)22-17-11-10-15(25-3)12-16(17)19(23)14-8-6-5-7-9-14/h5-13,18H,4,21H2,1-3H3,(H,22,24)/t13-,18-/m0/s1
InChIKeyWZEANFXUAGIYPJ-UGSOOPFHSA-N
XLogP3.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 99952036
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoic acid
CID 61158389
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63744628
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]amino]-5-chlorobenzoate
CID 61173703
N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
CID 119740914
methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
CID 119752196
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-fluorobenzoic acid
CID 63188226

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide (CID 169181195) is (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)cc1C(=O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide?
The InChIKey is WZEANFXUAGIYPJ-UGSOOPFHSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-13(2)18(21)20(24)22-17-11-10-15(25-3)12-16(17)19(23)14-8-6-5-7-9-14/h5-13,18H,4,21H2,1-3H3,(H,22,24)/t13-,18-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide has a molecular weight of 340.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 169181195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).