N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H33N3O3 — CID 3239400

IUPACN-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)CCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C21H33N3O3/c1-4-5-12-23(2)13-6-11-22-21(26)18-14-20(25)24(16-18)15-17-7-9-19(27-3)10-8-17/h7-10,18H,4-6,11-16H2,1-3H3,(H,22,26)
InChIKeyUYYNVRPTZVISMQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.28
Rot. Bonds11

About N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3239400) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3239400
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C)CCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C21H33N3O3/c1-4-5-12-23(2)13-6-11-22-21(26)18-14-20(25)24(16-18)15-17-7-9-19(27-3)10-8-17/h7-10,18H,4-6,11-16H2,1-3H3,(H,22,26)
InChIKeyUYYNVRPTZVISMQ-UHFFFAOYSA-N
XLogP2.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 3239400) is N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCCCN(C)CCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UYYNVRPTZVISMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-5-12-23(2)13-6-11-22-21(26)18-14-20(25)24(16-18)15-17-7-9-19(27-3)10-8-17/h7-10,18H,4-6,11-16H2,1-3H3,(H,22,26).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3239400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).