2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide

C30H29N3O2 — CID 42696556

IUPAC2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C30H29N3O2/c34-29(32-27-19-11-10-18-26(27)20-23-12-4-1-5-13-23)28(21-24-14-6-2-7-15-24)33-30(35)31-22-25-16-8-3-9-17-25/h1-19,28H,20-22H2,(H,32,34)(H2,31,33,35)
InChIKeyOJSFZDCNIPYFKN-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.33
Rot. Bonds9

About 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide

2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide (PubChem CID 42696556) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
PubChem CID42696556
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C30H29N3O2/c34-29(32-27-19-11-10-18-26(27)20-23-12-4-1-5-13-23)28(21-24-14-6-2-7-15-24)33-30(35)31-22-25-16-8-3-9-17-25/h1-19,28H,20-22H2,(H,32,34)(H2,31,33,35)
InChIKeyOJSFZDCNIPYFKN-UHFFFAOYSA-N
XLogP5.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
N-(2-benzylphenyl)-3-phenyl-2-[(2-phenylmethoxyacetyl)amino]propanamide
CID 42702726
2-(benzylcarbamoylamino)-N-(cyanomethyl)-3-phenylpropanamide
CID 87927353
2-(benzenesulfonamido)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42702728
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]-3-bromobenzamide
CID 4990800
[(2R)-1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 6941331
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
(2S)-2-[(2-ethylphenyl)carbamoylamino]-3-phenylpropanoate
CID 7602326
(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoic acid
CID 947568
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide (CID 42696556) is 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide is O=C(NCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide?
The InChIKey is OJSFZDCNIPYFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c34-29(32-27-19-11-10-18-26(27)20-23-12-4-1-5-13-23)28(21-24-14-6-2-7-15-24)33-30(35)31-22-25-16-8-3-9-17-25/h1-19,28H,20-22H2,(H,32,34)(H2,31,33,35).
What are the key properties of 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide?
2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide has a molecular weight of 463.58 g/mol, XLogP of 5.33, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 42696556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).