N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide

C11H22N2O — CID 58469287

IUPACN-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCC1)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10(9(3)4)12-11(14)13-6-5-7-13/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeySFDMICAHSVFEBT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.08
Rot. Bonds3

About N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide

N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide (PubChem CID 58469287) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide
PubChem CID58469287
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide
SMILESCC(C)C(NC(=O)N1CCC1)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10(9(3)4)12-11(14)13-6-5-7-13/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeySFDMICAHSVFEBT-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylpentan-2-ylurea
CID 20317153
3-cyclobutyl-N-(3-methylcyclobutyl)azetidine-1-carboxamide
CID 128405679
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157
N-[(2R)-butan-2-yl]-3-(difluoromethyl)azetidine-1-carboxamide
CID 167135164
3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
CID 126782280
3-fluoro-3-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
CID 130683825
3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide
CID 130918209
N-(2-amino-3-methylbutyl)-3-fluoroazetidine-1-carboxamide
CID 154742284
3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 165064974
3-(aminomethyl)-3-fluoro-N-(propan-2-yl)azetidine-1-carboxamide
CID 165487074
3-(aminomethyl)-3-fluoro-N-(3-methylbutan-2-yl)azetidine-1-carboxamide
CID 165848259
1-[(3-Fluoroazetidin-3-yl)methyl]-3-(3-methylbutan-2-yl)urea
CID 165949310

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide (CID 58469287) is N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide is CC(C)C(NC(=O)N1CCC1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide?
The InChIKey is SFDMICAHSVFEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)10(9(3)4)12-11(14)13-6-5-7-13/h8-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide?
N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 58469287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).