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N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide

C31H34N4O6 — CID 17153604

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3cc(OC)c(NC(=O)c4ccccc4)cc3OC)cc2)CC1=O
InChIInChI=1S/C31H34N4O6/c1-4-5-15-35-19-22(16-28(35)36)31(39)32-23-13-11-21(12-14-23)30(38)34-25-18-26(40-2)24(17-27(25)41-3)33-29(37)20-9-7-6-8-10-20/h6-14,17-18,22H,4-5,15-16,19H2,1-3H3,(H,32,39)(H,33,37)(H,34,38)
InChIKeySUDRXVWCDFEAQU-UHFFFAOYSA-N
MW558.64 g/mol
LogP4.80
Rot. Bonds11

About N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide

N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17153604) has the molecular formula C31H34N4O6 and a molecular weight of 558.64 g/mol. Its IUPAC name is N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17153604
Molecular FormulaC31H34N4O6
Molecular Weight558.64 g/mol
Exact Mass558.25
IUPAC NameN-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3cc(OC)c(NC(=O)c4ccccc4)cc3OC)cc2)CC1=O
InChIInChI=1S/C31H34N4O6/c1-4-5-15-35-19-22(16-28(35)36)31(39)32-23-13-11-21(12-14-23)30(38)34-25-18-26(40-2)24(17-27(25)41-3)33-29(37)20-9-7-6-8-10-20/h6-14,17-18,22H,4-5,15-16,19H2,1-3H3,(H,32,39)(H,33,37)(H,34,38)
InChIKeySUDRXVWCDFEAQU-UHFFFAOYSA-N
XLogP4.80
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.64
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 17153604) is N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3cc(OC)c(NC(=O)c4ccccc4)cc3OC)cc2)CC1=O.
What is the InChIKey of N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SUDRXVWCDFEAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O6/c1-4-5-15-35-19-22(16-28(35)36)31(39)32-23-13-11-21(12-14-23)30(38)34-25-18-26(40-2)24(17-27(25)41-3)33-29(37)20-9-7-6-8-10-20/h6-14,17-18,22H,4-5,15-16,19H2,1-3H3,(H,32,39)(H,33,37)(H,34,38).
What are the key properties of N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 558.64 g/mol, XLogP of 4.80, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17153604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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