methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate

C31H28N2O4 — CID 155907998

IUPACmethyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@](Cc1ccccc1)(NC(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H28N2O4/c1-22-13-15-25(16-14-22)29(35)33-31(30(36)37-2,21-23-9-5-3-6-10-23)26-17-19-27(20-18-26)32-28(34)24-11-7-4-8-12-24/h3-20H,21H2,1-2H3,(H,32,34)(H,33,35)/t31-/m1/s1
InChIKeyBBEAKUIJTHGOPP-WJOKGBTCSA-N
MW492.58 g/mol
LogP5.29
Rot. Bonds8

About methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate

methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate (PubChem CID 155907998) has the molecular formula C31H28N2O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate
PubChem CID155907998
Molecular FormulaC31H28N2O4
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Namemethyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@](Cc1ccccc1)(NC(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H28N2O4/c1-22-13-15-25(16-14-22)29(35)33-31(30(36)37-2,21-23-9-5-3-6-10-23)26-17-19-27(20-18-26)32-28(34)24-11-7-4-8-12-24/h3-20H,21H2,1-2H3,(H,32,34)(H,33,35)/t31-/m1/s1
InChIKeyBBEAKUIJTHGOPP-WJOKGBTCSA-N
XLogP5.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Usistapide
CID 56842069
Biomer
CID 3085227
N-[4-(4-benzamidophenyl)phenyl]benzamide
CID 231868
N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzamide
CID 1019926
{4-[(4-Tert-butylbenzoyl)amino]phenyl}acetic acid
CID 5111487
Methyl 4-[4-[([1,1'-biphenyl]-2-ylcarbonyl)amino]phenyl]-alpha-phenyl-1-piperazineacetate
CID 22499399
2-[4-[(4-Phenylbenzoyl)amino]phenyl]acetic acid
CID 25767990
Usistapida
CID 46894104
4-(4-benzamidophenyl)-N-phenylbenzamide (25)
CID 86766303
Methyl {4-[(4-tert-butylbenzoyl)amino]phenyl}acetate
CID 894181
Ethyl {4-[(4-tert-butylbenzoyl)amino]phenyl}acetate
CID 894520
2-(4-Biphenylyl)-2-oxoethyl 4-[(4-methylphenyl)amino]-4-oxobutanoate
CID 2265848

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate (CID 155907998) is methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate is COC(=O)[C@](Cc1ccccc1)(NC(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The InChIKey is BBEAKUIJTHGOPP-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H28N2O4/c1-22-13-15-25(16-14-22)29(35)33-31(30(36)37-2,21-23-9-5-3-6-10-23)26-17-19-27(20-18-26)32-28(34)24-11-7-4-8-12-24/h3-20H,21H2,1-2H3,(H,32,34)(H,33,35)/t31-/m1/s1.
What are the key properties of methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate has a molecular weight of 492.58 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-benzamidophenyl)-2-[(4-methylbenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 155907998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).