N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide

C23H22N2O2 — CID 17475548

IUPACN-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c26-22(20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)23(27)24-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,27)(H,25,26)
InChIKeyMVQORNNNBASCSJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.34
Rot. Bonds7

About N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 17475548) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID17475548
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c26-22(20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)23(27)24-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,27)(H,25,26)
InChIKeyMVQORNNNBASCSJ-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
N-[(2S)-1-[[4-[[[(2S)-2-[(2,3-dihydroxybenzoyl)amino]-3-phenylpropanoyl]amino]methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroxybenzamide
CID 11600105
3-[(2-benzamido-3-phenylpropanoyl)amino]-2,2-dimethylpropanoic acid
CID 119249422
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 17475548) is N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is MVQORNNNBASCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22(20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)23(27)24-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,24,27)(H,25,26).
What are the key properties of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 17475548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).