1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide

C13H19N2O3P — CID 166390735

IUPAC1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
SMILESCP(C)(=O)CN1CC(C(=O)Nc2cccc(O)c2)C1
InChIInChI=1S/C13H19N2O3P/c1-19(2,18)9-15-7-10(8-15)13(17)14-11-4-3-5-12(16)6-11/h3-6,10,16H,7-9H2,1-2H3,(H,14,17)
InChIKeyDYUMWQADTDYOEB-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.84
Rot. Bonds4

About 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide

1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide (PubChem CID 166390735) has the molecular formula C13H19N2O3P and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
PubChem CID166390735
Molecular FormulaC13H19N2O3P
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC Name1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide
SMILESCP(C)(=O)CN1CC(C(=O)Nc2cccc(O)c2)C1
InChIInChI=1S/C13H19N2O3P/c1-19(2,18)9-15-7-10(8-15)13(17)14-11-4-3-5-12(16)6-11/h3-6,10,16H,7-9H2,1-2H3,(H,14,17)
InChIKeyDYUMWQADTDYOEB-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 113287962
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
1-[(4-chlorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650919
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39346774
N-(3-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791012
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
N-(3-hydroxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572474
N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide
CID 171327777
N-(4-hydroxyphenyl)-1-[2-[4-(3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 91563948

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide (CID 166390735) is 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide is CP(C)(=O)CN1CC(C(=O)Nc2cccc(O)c2)C1.
What is the InChIKey of 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide?
The InChIKey is DYUMWQADTDYOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O3P/c1-19(2,18)9-15-7-10(8-15)13(17)14-11-4-3-5-12(16)6-11/h3-6,10,16H,7-9H2,1-2H3,(H,14,17).
What are the key properties of 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide?
1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide has a molecular weight of 282.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylphosphorylmethyl)-N-(3-hydroxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 166390735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).