N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide

C31H30N2O3 — CID 2230393

IUPACN-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide
SMILESCCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C31H30N2O3/c1-2-36-28-19-15-24(16-20-28)29(21-30(34)25-11-7-4-8-12-25)33-27-17-13-26(14-18-27)31(35)32-22-23-9-5-3-6-10-23/h3-20,29,33H,2,21-22H2,1H3,(H,32,35)/t29-/m1/s1
InChIKeyNCSSVNCAMIKCJB-GDLZYMKVSA-N
MW478.59 g/mol
LogP6.44
Rot. Bonds11

About N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide

N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide (PubChem CID 2230393) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide
PubChem CID2230393
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide
SMILESCCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C31H30N2O3/c1-2-36-28-19-15-24(16-20-28)29(21-30(34)25-11-7-4-8-12-25)33-27-17-13-26(14-18-27)31(35)32-22-23-9-5-3-6-10-23/h3-20,29,33H,2,21-22H2,1H3,(H,32,35)/t29-/m1/s1
InChIKeyNCSSVNCAMIKCJB-GDLZYMKVSA-N
XLogP6.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250
3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
CID 132593499
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-(4-iodoanilino)propan-1-one
CID 132593634
3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 3897181
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
CID 171114767
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide (CID 2230393) is N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide is CCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide?
The InChIKey is NCSSVNCAMIKCJB-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-2-36-28-19-15-24(16-20-28)29(21-30(34)25-11-7-4-8-12-25)33-27-17-13-26(14-18-27)31(35)32-22-23-9-5-3-6-10-23/h3-20,29,33H,2,21-22H2,1H3,(H,32,35)/t29-/m1/s1.
What are the key properties of N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide?
N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide has a molecular weight of 478.59 g/mol, XLogP of 6.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide is sourced from PubChem (CID 2230393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).