2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

C42H38N4O3 — CID 23404414

IUPAC2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N(CCc1cnc[nH]1)[C@H](Cc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H38N4O3/c47-40(34-21-11-4-12-22-34)36-23-13-14-24-37(36)42(49)46(26-25-35-28-43-30-45-35)39(27-31-15-5-1-6-16-31)41(48)44-29-38(32-17-7-2-8-18-32)33-19-9-3-10-20-33/h1-24,28,30,38-39H,25-27,29H2,(H,43,45)(H,44,48)/t39-/m1/s1
InChIKeyZEBZASNNWSRBKB-LDLOPFEMSA-N
MW646.79 g/mol
LogP6.89
Rot. Bonds14

About 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 23404414) has the molecular formula C42H38N4O3 and a molecular weight of 646.79 g/mol. Its IUPAC name is 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
PubChem CID23404414
Molecular FormulaC42H38N4O3
Molecular Weight646.79 g/mol
Exact Mass646.29
IUPAC Name2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N(CCc1cnc[nH]1)[C@H](Cc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H38N4O3/c47-40(34-21-11-4-12-22-34)36-23-13-14-24-37(36)42(49)46(26-25-35-28-43-30-45-35)39(27-31-15-5-1-6-16-31)41(48)44-29-38(32-17-7-2-8-18-32)33-19-9-3-10-20-33/h1-24,28,30,38-39H,25-27,29H2,(H,43,45)(H,44,48)/t39-/m1/s1
InChIKeyZEBZASNNWSRBKB-LDLOPFEMSA-N
XLogP6.89
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-[[2-(2,2-diphenylethylamino)-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]carbamate
CID 67614823
(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 22842642
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385
5-(2,3-diphenylpropyl)-1H-imidazole
CID 10491736
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
(2R)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid
CID 175867528
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
CID 70183155
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
CID 42796388
(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoate
CID 7021872
2-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 46987858

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide (CID 23404414) is 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is O=C(c1ccccc1)c1ccccc1C(=O)N(CCc1cnc[nH]1)[C@H](Cc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is ZEBZASNNWSRBKB-LDLOPFEMSA-N. The full InChI is InChI=1S/C42H38N4O3/c47-40(34-21-11-4-12-22-34)36-23-13-14-24-37(36)42(49)46(26-25-35-28-43-30-45-35)39(27-31-15-5-1-6-16-31)41(48)44-29-38(32-17-7-2-8-18-32)33-19-9-3-10-20-33/h1-24,28,30,38-39H,25-27,29H2,(H,43,45)(H,44,48)/t39-/m1/s1.
What are the key properties of 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide?
2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 646.79 g/mol, XLogP of 6.89, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(2R)-1-(2,2-diphenylethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 23404414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).