1-phenoxyazetidine-3-carboxamide

C10H12N2O2 — CID 67880403

IUPAC1-phenoxyazetidine-3-carboxamide
SMILESNC(=O)C1CN(Oc2ccccc2)C1
InChIInChI=1S/C10H12N2O2/c11-10(13)8-6-12(7-8)14-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,13)
InChIKeyZIWNLZTTZSXXRP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.40
Rot. Bonds3

About 1-phenoxyazetidine-3-carboxamide

1-phenoxyazetidine-3-carboxamide (PubChem CID 67880403) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-phenoxyazetidine-3-carboxamide.

Molecular Properties

Compound Name1-phenoxyazetidine-3-carboxamide
PubChem CID67880403
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-phenoxyazetidine-3-carboxamide
SMILESNC(=O)C1CN(Oc2ccccc2)C1
InChIInChI=1S/C10H12N2O2/c11-10(13)8-6-12(7-8)14-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,13)
InChIKeyZIWNLZTTZSXXRP-UHFFFAOYSA-N
XLogP0.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride
CID 67980799
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
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(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
CID 95342008
(3R)-1-[(2R)-2-phenoxy-2-phenylacetyl]pyrrolidine-3-carboxamide
CID 95580293
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
3-carbamoylazetidine-1-carboxylic acid
CID 22731075
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
aniline;cyclobutanecarboxamide
CID 145209318
1-phenylaziridine-2-carboxamide
CID 45084640
4-phenoxypyrrolidine-2-carboxamide
CID 175784716
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276

Frequently Asked Questions

What is the IUPAC name of 1-phenoxyazetidine-3-carboxamide?
The IUPAC name of 1-phenoxyazetidine-3-carboxamide (CID 67880403) is 1-phenoxyazetidine-3-carboxamide.
What is the SMILES notation for 1-phenoxyazetidine-3-carboxamide?
The canonical SMILES for 1-phenoxyazetidine-3-carboxamide is NC(=O)C1CN(Oc2ccccc2)C1.
What is the InChIKey of 1-phenoxyazetidine-3-carboxamide?
The InChIKey is ZIWNLZTTZSXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-10(13)8-6-12(7-8)14-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,11,13).
What are the key properties of 1-phenoxyazetidine-3-carboxamide?
1-phenoxyazetidine-3-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyazetidine-3-carboxamide is sourced from PubChem (CID 67880403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).