N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide

C31H30N2O3 — CID 42702726

IUPACN-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide
SMILESO=C(COCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C31H30N2O3/c34-30(23-36-22-26-16-8-3-9-17-26)32-29(21-25-14-6-2-7-15-25)31(35)33-28-19-11-10-18-27(28)20-24-12-4-1-5-13-24/h1-19,29H,20-23H2,(H,32,34)(H,33,35)
InChIKeyWHVQUOBYQWBBHP-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.16
Rot. Bonds11

About N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide

N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide (PubChem CID 42702726) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide
PubChem CID42702726
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide
SMILESO=C(COCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C31H30N2O3/c34-30(23-36-22-26-16-8-3-9-17-26)32-29(21-25-14-6-2-7-15-25)31(35)33-28-19-11-10-18-27(28)20-24-12-4-1-5-13-24/h1-19,29H,20-23H2,(H,32,34)(H,33,35)
InChIKeyWHVQUOBYQWBBHP-UHFFFAOYSA-N
XLogP5.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42696556
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]-3-bromobenzamide
CID 4990800
2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42702728
[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 6941331
(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate
CID 124560393
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781042
(2R)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781041
propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142869177

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide?
The IUPAC name of N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide (CID 42702726) is N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide?
The canonical SMILES for N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide is O=C(COCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide?
The InChIKey is WHVQUOBYQWBBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c34-30(23-36-22-26-16-8-3-9-17-26)32-29(21-25-14-6-2-7-15-25)31(35)33-28-19-11-10-18-27(28)20-24-12-4-1-5-13-24/h1-19,29H,20-23H2,(H,32,34)(H,33,35).
What are the key properties of N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide?
N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide has a molecular weight of 478.59 g/mol, XLogP of 5.16, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide is sourced from PubChem (CID 42702726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).