3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide

C20H34N4O3 — CID 46852299

IUPAC3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C20H34N4O3/c25-19(23-8-2-7-22(9-10-23)18-3-1-4-18)17-14-24(15-17)20(26)21-13-16-5-11-27-12-6-16/h16-18H,1-15H2,(H,21,26)
InChIKeyDBGRQMZAMZYTJY-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.14
Rot. Bonds4

About 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide

3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide (PubChem CID 46852299) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide
PubChem CID46852299
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C20H34N4O3/c25-19(23-8-2-7-22(9-10-23)18-3-1-4-18)17-14-24(15-17)20(26)21-13-16-5-11-27-12-6-16/h16-18H,1-15H2,(H,21,26)
InChIKeyDBGRQMZAMZYTJY-UHFFFAOYSA-N
XLogP1.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-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 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide (CID 46852299) is 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide is O=C(NCC1CCOCC1)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1.
What is the InChIKey of 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide?
The InChIKey is DBGRQMZAMZYTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c25-19(23-8-2-7-22(9-10-23)18-3-1-4-18)17-14-24(15-17)20(26)21-13-16-5-11-27-12-6-16/h16-18H,1-15H2,(H,21,26).
What are the key properties of 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide?
3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-(oxan-4-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 46852299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).