N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide

C27H28N2O4 — CID 41152252

IUPACN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide
SMILESCOc1ccc(N2C[C@H](NC(=O)CC(c3ccccc3)c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C27H28N2O4/c1-32-24-14-13-22(16-25(24)33-2)29-18-21(15-27(29)31)28-26(30)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16,21,23H,15,17-18H2,1-2H3,(H,28,30)/t21-/m1/s1
InChIKeyICQADPUHXCOCPP-OAQYLSRUSA-N
MW444.53 g/mol
LogP4.15
Rot. Bonds8

About N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide

N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide (PubChem CID 41152252) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide
PubChem CID41152252
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide
SMILESCOc1ccc(N2C[C@H](NC(=O)CC(c3ccccc3)c3ccccc3)CC2=O)cc1OC
InChIInChI=1S/C27H28N2O4/c1-32-24-14-13-22(16-25(24)33-2)29-18-21(15-27(29)31)28-26(30)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16,21,23H,15,17-18H2,1-2H3,(H,28,30)/t21-/m1/s1
InChIKeyICQADPUHXCOCPP-OAQYLSRUSA-N
XLogP4.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 7546964
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 7255696
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-ethylbutanamide
CID 7255699
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 7552478
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 18572772
1-benzyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7552374
(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7255727
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-ethylurea
CID 43970655
3-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-di(propan-2-yl)urea
CID 43970629

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide (CID 41152252) is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide is COc1ccc(N2C[C@H](NC(=O)CC(c3ccccc3)c3ccccc3)CC2=O)cc1OC.
What is the InChIKey of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide?
The InChIKey is ICQADPUHXCOCPP-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-32-24-14-13-22(16-25(24)33-2)29-18-21(15-27(29)31)28-26(30)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,16,21,23H,15,17-18H2,1-2H3,(H,28,30)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide?
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide has a molecular weight of 444.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 41152252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).