N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide

C11H21N3O2 — CID 138636582

IUPACN-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(NC(=O)C(C)CC)C1
InChIInChI=1S/C11H21N3O2/c1-4-8(3)10(15)13-9-6-14(7-9)11(16)12-5-2/h8-9H,4-7H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyPYUPSMQXWQDIJZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.56
Rot. Bonds4

About N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide

N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide (PubChem CID 138636582) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide
PubChem CID138636582
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide
SMILESCCNC(=O)N1CC(NC(=O)C(C)CC)C1
InChIInChI=1S/C11H21N3O2/c1-4-8(3)10(15)13-9-6-14(7-9)11(16)12-5-2/h8-9H,4-7H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyPYUPSMQXWQDIJZ-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-(2-methylbutanoylamino)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

Related Compounds

3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
Tetrahydro-alpha-(1-methylethyl)-2-oxo-1-(2h)-pyrimidineacetamide
CID 106347667
(2S)-2-(diethylcarbamoylamino)-N,4-dimethylpentanamide
CID 393226
1-(1-Acetylazetidin-3-yl)-3-(cyclopentylmethyl)urea
CID 72113835
3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide
CID 164632583
1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea
CID 164637878
N-[1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034904
N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034972
N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034973
N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]propanamide
CID 169667905
N-[1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]propanamide
CID 169667906
N-[(2S)-1-(3-fluoroazetidin-1-yl)-3-methylbutan-2-yl]propanamide
CID 169668028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide (CID 138636582) is N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide is CCNC(=O)N1CC(NC(=O)C(C)CC)C1.
What is the InChIKey of N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide?
The InChIKey is PYUPSMQXWQDIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-8(3)10(15)13-9-6-14(7-9)11(16)12-5-2/h8-9H,4-7H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide?
N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylbutanoylamino)azetidine-1-carboxamide is sourced from PubChem (CID 138636582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).