1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C26H33N3O3 — CID 17153681

IUPAC1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N(CCCC)c3ccccc3)cc2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-3-5-16-28-19-21(18-24(28)30)25(31)27-22-14-12-20(13-15-22)26(32)29(17-6-4-2)23-10-8-7-9-11-23/h7-15,21H,3-6,16-19H2,1-2H3,(H,27,31)
InChIKeyZRSUSLWMFKXCKD-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.72
Rot. Bonds10

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

1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17153681) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17153681
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)N(CCCC)c3ccccc3)cc2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-3-5-16-28-19-21(18-24(28)30)25(31)27-22-14-12-20(13-15-22)26(32)29(17-6-4-2)23-10-8-7-9-11-23/h7-15,21H,3-6,16-19H2,1-2H3,(H,27,31)
InChIKeyZRSUSLWMFKXCKD-UHFFFAOYSA-N
XLogP4.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17153681) is 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(C(=O)N(CCCC)c3ccccc3)cc2)CC1=O.
What is the InChIKey of 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZRSUSLWMFKXCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-3-5-16-28-19-21(18-24(28)30)25(31)27-22-14-12-20(13-15-22)26(32)29(17-6-4-2)23-10-8-7-9-11-23/h7-15,21H,3-6,16-19H2,1-2H3,(H,27,31).
What are the key properties of 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17153681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).