4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C26H35N3O4 — CID 24979839

IUPAC4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1
InChIInChI=1S/C26H35N3O4/c1-3-4-17-33-23-13-9-21(10-14-23)26(31)28-19-25(30)27-18-24(29-15-5-6-16-29)20-7-11-22(32-2)12-8-20/h7-14,24H,3-6,15-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyWREGPFATGCSOLQ-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.56
Rot. Bonds12

About 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 24979839) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID24979839
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1
InChIInChI=1S/C26H35N3O4/c1-3-4-17-33-23-13-9-21(10-14-23)26(31)28-19-25(30)27-18-24(29-15-5-6-16-29)20-7-11-22(32-2)12-8-20/h7-14,24H,3-6,15-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyWREGPFATGCSOLQ-UHFFFAOYSA-N
XLogP3.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide 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 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 24979839) is 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is WREGPFATGCSOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-3-4-17-33-23-13-9-21(10-14-23)26(31)28-19-25(30)27-18-24(29-15-5-6-16-29)20-7-11-22(32-2)12-8-20/h7-14,24H,3-6,15-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 453.58 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24979839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).