N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide

C13H18N2O2 — CID 143227744

IUPACN-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(CCCO)cc1)N1CCC1
InChIInChI=1S/C13H18N2O2/c16-10-1-3-11-4-6-12(7-5-11)14-13(17)15-8-2-9-15/h4-7,16H,1-3,8-10H2,(H,14,17)
InChIKeyQFRQZEDKOQTTPL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.85
Rot. Bonds4

About N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide

N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide (PubChem CID 143227744) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide
PubChem CID143227744
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(CCCO)cc1)N1CCC1
InChIInChI=1S/C13H18N2O2/c16-10-1-3-11-4-6-12(7-5-11)14-13(17)15-8-2-9-15/h4-7,16H,1-3,8-10H2,(H,14,17)
InChIKeyQFRQZEDKOQTTPL-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79152025
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tert-butyl 4-[(4-butylphenyl)carbamoyl]-1,4-diazepane-1-carboxylate
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N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
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4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-(4-butylphenyl)-4-(3-cyclopropylpropanoyl)-1,4-diazepane-1-carboxamide
CID 24948113
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
N-[4-(ethylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911585
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161528
N-[4-(sulfamoylmethyl)phenyl]pyrrolidine-1-carboxamide
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5-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(4-butylphenyl)-1,5-diazocane-1-carboxamide
CID 178156658

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide (CID 143227744) is N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide is O=C(Nc1ccc(CCCO)cc1)N1CCC1.
What is the InChIKey of N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide?
The InChIKey is QFRQZEDKOQTTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-10-1-3-11-4-6-12(7-5-11)14-13(17)15-8-2-9-15/h4-7,16H,1-3,8-10H2,(H,14,17).
What are the key properties of N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide?
N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 143227744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).