N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide

C25H26N2O2 — CID 90765591

IUPACN-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
SMILESCC(=O)NC(CN(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-20(28)26-24(25(29)23-15-9-4-10-16-23)19-27(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,24H,17-19H2,1H3,(H,26,28)
InChIKeyZQIGAVJJEIFTNQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.08
Rot. Bonds9

About N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide

N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide (PubChem CID 90765591) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
PubChem CID90765591
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
SMILESCC(=O)NC(CN(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-20(28)26-24(25(29)23-15-9-4-10-16-23)19-27(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,24H,17-19H2,1H3,(H,26,28)
InChIKeyZQIGAVJJEIFTNQ-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide
CID 93494428
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-(1-benzylsulfanyl-2-oxo-2-phenylethyl)acetamide
CID 71832889
(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one
CID 11099804
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
N-deuterio-N-[(2S)-1-oxo-1,3-diphenylpropan-2-yl]acetamide
CID 141364621
2-acetamido-N-benzyl-N-propan-2-yl-3-sulfanylpropanamide
CID 107768981
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
3-[(dibenzylamino)methyl]-4-methoxy-4-oxobutanoic acid
CID 139720772
(2S)-2-acetamido-3-oxo-3-phenylpropanoic acid
CID 70562426
(2S)-2-acetamido-3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 11823586

Frequently Asked Questions

What is the IUPAC name of N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide?
The IUPAC name of N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide (CID 90765591) is N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide is CC(=O)NC(CN(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide?
The InChIKey is ZQIGAVJJEIFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-20(28)26-24(25(29)23-15-9-4-10-16-23)19-27(17-21-11-5-2-6-12-21)18-22-13-7-3-8-14-22/h2-16,24H,17-19H2,1H3,(H,26,28).
What are the key properties of N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide?
N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 90765591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).