1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide

C21H31N3O3 — CID 50827153

IUPAC1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
SMILESCCCC(=O)Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCC2)cc1
InChIInChI=1S/C21H31N3O3/c1-2-4-19(25)23-18-7-5-17(6-8-18)21(9-3-10-21)20(26)22-11-12-24-13-15-27-16-14-24/h5-8H,2-4,9-16H2,1H3,(H,22,26)(H,23,25)
InChIKeyRGCVHEXWQPEKJC-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.30
Rot. Bonds8

About 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide

1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide (PubChem CID 50827153) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
PubChem CID50827153
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
SMILESCCCC(=O)Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCC2)cc1
InChIInChI=1S/C21H31N3O3/c1-2-4-19(25)23-18-7-5-17(6-8-18)21(9-3-10-21)20(26)22-11-12-24-13-15-27-16-14-24/h5-8H,2-4,9-16H2,1H3,(H,22,26)(H,23,25)
InChIKeyRGCVHEXWQPEKJC-UHFFFAOYSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-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 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide (CID 50827153) is 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide is CCCC(=O)Nc1ccc(C2(C(=O)NCCN3CCOCC3)CCC2)cc1.
What is the InChIKey of 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is RGCVHEXWQPEKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-2-4-19(25)23-18-7-5-17(6-8-18)21(9-3-10-21)20(26)22-11-12-24-13-15-27-16-14-24/h5-8H,2-4,9-16H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide?
1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 50827153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).