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

C12H24N2O — CID 58469653

IUPACN-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide
SMILESCC(C)C(C(C)C)N(C)C(=O)N1CCC1
InChIInChI=1S/C12H24N2O/c1-9(2)11(10(3)4)13(5)12(15)14-7-6-8-14/h9-11H,6-8H2,1-5H3
InChIKeyQHFBMBOTIBASEZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.42
Rot. Bonds3

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

N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide (PubChem CID 58469653) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide
PubChem CID58469653
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide
SMILESCC(C)C(C(C)C)N(C)C(=O)N1CCC1
InChIInChI=1S/C12H24N2O/c1-9(2)11(10(3)4)13(5)12(15)14-7-6-8-14/h9-11H,6-8H2,1-5H3
InChIKeyQHFBMBOTIBASEZ-UHFFFAOYSA-N
XLogP2.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3-trimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
CID 58469093
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
CID 58469200
1-(2,4-Dimethylpentan-3-yl)-1,3,3-trimethylurea
CID 58469260
N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide
CID 58469287
N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
CID 58469760
1,3-Dimethyl-1-(2-methylpropyl)-3-propan-2-ylurea
CID 59961769
N-methyl-N-(3-methylbutan-2-yl)azetidine-1-carboxamide
CID 68220889
N-methyl-N-(2,2,4-trimethylpentan-3-yl)azetidine-1-carboxamide
CID 68221672
1,1,3-Trimethyl-3-(3-methylbutan-2-yl)urea
CID 88894836
N-methyl-N-[(2S)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 89425441
3-ethyl-N,N-dimethylazetidine-1-carboxamide
CID 121391083
N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide
CID 128587159

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide (CID 58469653) is N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide is CC(C)C(C(C)C)N(C)C(=O)N1CCC1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide?
The InChIKey is QHFBMBOTIBASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)11(10(3)4)13(5)12(15)14-7-6-8-14/h9-11H,6-8H2,1-5H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide?
N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 58469653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).