N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide

C13H26N2O — CID 58469200

IUPACN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
SMILESCC(C)[C@H](N(C)C(=O)N1CCC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)11(13(3,4)5)14(6)12(16)15-8-7-9-15/h10-11H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyMTJDFJHCWLHLAG-NSHDSACASA-N
MW226.36 g/mol
LogP2.81
Rot. Bonds2

About N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide

N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide (PubChem CID 58469200) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
PubChem CID58469200
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
SMILESCC(C)[C@H](N(C)C(=O)N1CCC1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(2)11(13(3,4)5)14(6)12(16)15-8-7-9-15/h10-11H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyMTJDFJHCWLHLAG-NSHDSACASA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.81
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
1-(2,4-Dimethylpentan-3-yl)-1,3,3-trimethylurea
CID 58469260
N-(2,4-dimethylpentan-3-yl)azetidine-1-carboxamide
CID 58469287
N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide
CID 58469653
N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
CID 58469760
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-(3,3-Dimethylbutan-2-yl)-1,3,3-trimethylurea
CID 88894980
N-methyl-N-[(2S)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 89425441
3-tert-butyl-N,N-dimethylazetidine-1-carboxamide
CID 89835150
N,N,6-trimethyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 90369784
N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide
CID 128587159

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
The IUPAC name of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide (CID 58469200) is N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
The canonical SMILES for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide is CC(C)[C@H](N(C)C(=O)N1CCC1)C(C)(C)C.
What is the InChIKey of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
The InChIKey is MTJDFJHCWLHLAG-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)11(13(3,4)5)14(6)12(16)15-8-7-9-15/h10-11H,7-9H2,1-6H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 58469200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).