N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C25H26N2O2 — CID 9110395

IUPACN-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-18(2)22(26-24(28)21-16-10-5-11-17-21)25(29)27-23(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22-23H,1-2H3,(H,26,28)(H,27,29)/t22-/m1/s1
InChIKeyLRBWESAXIIOVNQ-JOCHJYFZSA-N
MW386.50 g/mol
LogP4.35
Rot. Bonds7

About N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide

N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 9110395) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID9110395
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-18(2)22(26-24(28)21-16-10-5-11-17-21)25(29)27-23(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22-23H,1-2H3,(H,26,28)(H,27,29)/t22-/m1/s1
InChIKeyLRBWESAXIIOVNQ-JOCHJYFZSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2464302
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 109479000
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
[(1S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2117468
3-fluoro-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]benzamide
CID 42703749
N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide
CID 20846178
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 9110395) is N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is LRBWESAXIIOVNQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(2)22(26-24(28)21-16-10-5-11-17-21)25(29)27-23(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22-23H,1-2H3,(H,26,28)(H,27,29)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 9110395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).