2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

C26H28N2O2 — CID 8730033

IUPAC2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-20(29)24(18-21-12-6-3-7-13-21)27-25(30)19-28(2)26(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24,26H,18-19H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyDVEPMAHOBDJKSF-XMMPIXPASA-N
MW400.52 g/mol
LogP4.02
Rot. Bonds9

About 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 8730033) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID8730033
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-20(29)24(18-21-12-6-3-7-13-21)27-25(30)19-28(2)26(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24,26H,18-19H2,1-2H3,(H,27,30)/t24-/m1/s1
InChIKeyDVEPMAHOBDJKSF-XMMPIXPASA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054777
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222696
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9039466
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222694
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
2-(azocan-1-ium-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496912
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054230
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4841837
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9197153
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]acetamide
CID 8693314

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 8730033) is 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is DVEPMAHOBDJKSF-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28N2O2/c1-20(29)24(18-21-12-6-3-7-13-21)27-25(30)19-28(2)26(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24,26H,18-19H2,1-2H3,(H,27,30)/t24-/m1/s1.
What are the key properties of 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 8730033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).