N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide

C20H24N2O2 — CID 173218917

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C20H24N2O2/c1-14(2)12-18(19(21)23)22-20(24)17-10-8-16(9-11-17)13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H2,21,23)(H,22,24)/t18-/m0/s1
InChIKeyLDZYCTCAJRBIJL-SFHVURJKSA-N
MW324.42 g/mol
LogP2.91
Rot. Bonds7

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide (PubChem CID 173218917) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
PubChem CID173218917
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C20H24N2O2/c1-14(2)12-18(19(21)23)22-20(24)17-10-8-16(9-11-17)13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H2,21,23)(H,22,24)/t18-/m0/s1
InChIKeyLDZYCTCAJRBIJL-SFHVURJKSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 10305662
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylpentanamide
CID 14703982

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide (CID 173218917) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide is CC(C)C[C@H](NC(=O)c1ccc(Cc2ccccc2)cc1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide?
The InChIKey is LDZYCTCAJRBIJL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)12-18(19(21)23)22-20(24)17-10-8-16(9-11-17)13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H2,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-benzylbenzamide is sourced from PubChem (CID 173218917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).