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

C13H18N2O2 — CID 113397733

IUPACN-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1cccc(CCCO)c1)C1CNC1
InChIInChI=1S/C13H18N2O2/c16-6-2-4-10-3-1-5-12(7-10)15-13(17)11-8-14-9-11/h1,3,5,7,11,14,16H,2,4,6,8-9H2,(H,15,17)
InChIKeyWMOWNMCSHLHDGS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.77
Rot. Bonds5

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

N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide (PubChem CID 113397733) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide
PubChem CID113397733
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1cccc(CCCO)c1)C1CNC1
InChIInChI=1S/C13H18N2O2/c16-6-2-4-10-3-1-5-12(7-10)15-13(17)11-8-14-9-11/h1,3,5,7,11,14,16H,2,4,6,8-9H2,(H,15,17)
InChIKeyWMOWNMCSHLHDGS-UHFFFAOYSA-N
XLogP0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 107689573
N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
CID 114028588
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
CID 107905690
N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
3-[3-(bicyclo[3.1.0]hexane-3-carbonylamino)phenyl]propanoic acid
CID 115339348
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide?
The IUPAC name of N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide (CID 113397733) is N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide?
The canonical SMILES for N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide is O=C(Nc1cccc(CCCO)c1)C1CNC1.
What is the InChIKey of N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide?
The InChIKey is WMOWNMCSHLHDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-6-2-4-10-3-1-5-12(7-10)15-13(17)11-8-14-9-11/h1,3,5,7,11,14,16H,2,4,6,8-9H2,(H,15,17).
What are the key properties of N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide?
N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 113397733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).