3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide

C33H38N2O6 — CID 10325437

IUPAC3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide
SMILESCOc1cccc(COc2cc(C(=O)N(C)C)cc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C33H38N2O6/c1-34(2)33(37)24-15-26(19-29(16-24)40-21-22-8-7-11-28(14-22)38-3)35-20-25(18-32(35)36)23-12-13-30(39-4)31(17-23)41-27-9-5-6-10-27/h7-8,11-17,19,25,27H,5-6,9-10,18,20-21H2,1-4H3
InChIKeyBCMXBYIZDQYQSR-UHFFFAOYSA-N
MW558.68 g/mol
LogP5.83
Rot. Bonds10

About 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide

3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide (PubChem CID 10325437) has the molecular formula C33H38N2O6 and a molecular weight of 558.68 g/mol. Its IUPAC name is 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide
PubChem CID10325437
Molecular FormulaC33H38N2O6
Molecular Weight558.68 g/mol
Exact Mass558.27
IUPAC Name3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide
SMILESCOc1cccc(COc2cc(C(=O)N(C)C)cc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
InChIInChI=1S/C33H38N2O6/c1-34(2)33(37)24-15-26(19-29(16-24)40-21-22-8-7-11-28(14-22)38-3)35-20-25(18-32(35)36)23-12-13-30(39-4)31(17-23)41-27-9-5-6-10-27/h7-8,11-17,19,25,27H,5-6,9-10,18,20-21H2,1-4H3
InChIKeyBCMXBYIZDQYQSR-UHFFFAOYSA-N
XLogP5.83
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide (CID 10325437) is 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide is COc1cccc(COc2cc(C(=O)N(C)C)cc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1.
What is the InChIKey of 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
The InChIKey is BCMXBYIZDQYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O6/c1-34(2)33(37)24-15-26(19-29(16-24)40-21-22-8-7-11-28(14-22)38-3)35-20-25(18-32(35)36)23-12-13-30(39-4)31(17-23)41-27-9-5-6-10-27/h7-8,11-17,19,25,27H,5-6,9-10,18,20-21H2,1-4H3.
What are the key properties of 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide?
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide has a molecular weight of 558.68 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[(3-methoxyphenyl)methoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 10325437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).