N-[(1R)-1-phenylethyl]azetidine-3-carboxamide

C12H16N2O — CID 79026254

IUPACN-[(1R)-1-phenylethyl]azetidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CNC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)14-12(15)11-7-13-8-11/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeySTOCVWUFIJSVCZ-SECBINFHSA-N
MW204.27 g/mol
LogP1.08
Rot. Bonds3

About N-[(1R)-1-phenylethyl]azetidine-3-carboxamide

N-[(1R)-1-phenylethyl]azetidine-3-carboxamide (PubChem CID 79026254) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]azetidine-3-carboxamide
PubChem CID79026254
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[(1R)-1-phenylethyl]azetidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1CNC1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)14-12(15)11-7-13-8-11/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeySTOCVWUFIJSVCZ-SECBINFHSA-N
XLogP1.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-carboxamide
CID 81409992
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]azetidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]azetidine-3-carboxamide (CID 79026254) is N-[(1R)-1-phenylethyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]azetidine-3-carboxamide is C[C@@H](NC(=O)C1CNC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]azetidine-3-carboxamide?
The InChIKey is STOCVWUFIJSVCZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)14-12(15)11-7-13-8-11/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]azetidine-3-carboxamide?
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]azetidine-3-carboxamide is sourced from PubChem (CID 79026254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).