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

C29H26N2O2 — CID 3872811

IUPACN-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c32-28(24-16-8-3-9-17-24)31-27(21-23-14-6-2-7-15-23)29(33)30-26-19-11-10-18-25(26)20-22-12-4-1-5-13-22/h1-19,27H,20-21H2,(H,30,33)(H,31,32)
InChIKeyCKEQFIHPWAVFEX-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.26
Rot. Bonds8

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

N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 3872811) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID3872811
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C29H26N2O2/c32-28(24-16-8-3-9-17-24)31-27(21-23-14-6-2-7-15-23)29(33)30-26-19-11-10-18-25(26)20-22-12-4-1-5-13-22/h1-19,27H,20-21H2,(H,30,33)(H,31,32)
InChIKeyCKEQFIHPWAVFEX-UHFFFAOYSA-N
XLogP5.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]-3-bromobenzamide
CID 4990800
2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42696556
N-[1-[2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296459
N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide
CID 42702726
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42702728
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 6941331
2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 2173066
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[3-(3,4-dihydroxyphenyl)-1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 118296421
N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296501

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 3872811) is N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is CKEQFIHPWAVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c32-28(24-16-8-3-9-17-24)31-27(21-23-14-6-2-7-15-23)29(33)30-26-19-11-10-18-25(26)20-22-12-4-1-5-13-22/h1-19,27H,20-21H2,(H,30,33)(H,31,32).
What are the key properties of N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 3872811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).