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

C12H24N2O — CID 58469760

IUPACN-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)10(12(3,4)5)13-11(15)14-7-6-8-14/h9-10H,6-8H2,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyRQGVXKPDBXJTIE-JTQLQIEISA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds2

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

N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide (PubChem CID 58469760) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
PubChem CID58469760
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCC1)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)10(12(3,4)5)13-11(15)14-7-6-8-14/h9-10H,6-8H2,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyRQGVXKPDBXJTIE-JTQLQIEISA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-(4-methylpentan-2-yl)azetidine-1-carboxamide
CID 126782280
3-(1-fluoroethyl)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 165064974
3-(aminomethyl)-3-fluoro-N-(3-methylbutan-2-yl)azetidine-1-carboxamide
CID 165848259
Urea, N,N'-bis(1,3-dimethylbutyl)-
CID 11299141
N-butan-2-ylazetidine-1-carboxamide
CID 56809608
1-(3,3-Dimethylbutan-2-yl)-3-propan-2-ylurea
CID 57846446
1-(4,4-Dimethylpentan-2-yl)-3-methylurea
CID 57895432
1-Methyl-3-(4-methylpentan-2-yl)urea
CID 57895444
1-(2,4-Dimethylpentan-3-yl)-3-methylurea
CID 58468736
1-methyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
CID 58468761
2,4-Dimethylpentan-3-ylurea
CID 58469130
1,1-dimethyl-3-[(3S)-2,2,4-trimethylpentan-3-yl]urea
CID 58469172

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
The IUPAC name of N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide (CID 58469760) is N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
The canonical SMILES for N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide is CC(C)[C@H](NC(=O)N1CCC1)C(C)(C)C.
What is the InChIKey of N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
The InChIKey is RQGVXKPDBXJTIE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10(12(3,4)5)13-11(15)14-7-6-8-14/h9-10H,6-8H2,1-5H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide?
N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 58469760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).