N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide

C13H25N3O2 — CID 110197187

IUPACN-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(N(CC)C2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-3-14-13(17)15-9-12(10-15)16(4-2)11-5-7-18-8-6-11/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyRLKVLYYHIKAIQO-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.90
Rot. Bonds4

About N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide

N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide (PubChem CID 110197187) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide
PubChem CID110197187
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(N(CC)C2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-3-14-13(17)15-9-12(10-15)16(4-2)11-5-7-18-8-6-11/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyRLKVLYYHIKAIQO-UHFFFAOYSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[ethyl(oxan-4-yl)amino]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 N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide (CID 110197187) is N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide is CCNC(=O)N1CC(N(CC)C2CCOCC2)C1.
What is the InChIKey of N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide?
The InChIKey is RLKVLYYHIKAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-14-13(17)15-9-12(10-15)16(4-2)11-5-7-18-8-6-11/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide?
N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide is sourced from PubChem (CID 110197187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).