N'-hydroxy-N-phenylpropanediamide

C9H10N2O3 — CID 20721653

IUPACN'-hydroxy-N-phenylpropanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NO
InChIInChI=1S/C9H10N2O3/c12-8(6-9(13)11-14)10-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,10,12)(H,11,13)
InChIKeyCJNDVJIYUGLRMO-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.52
Rot. Bonds3

About N'-hydroxy-N-phenylpropanediamide

N'-hydroxy-N-phenylpropanediamide (PubChem CID 20721653) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N'-hydroxy-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-phenylpropanediamide
PubChem CID20721653
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN'-hydroxy-N-phenylpropanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NO
InChIInChI=1S/C9H10N2O3/c12-8(6-9(13)11-14)10-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,10,12)(H,11,13)
InChIKeyCJNDVJIYUGLRMO-UHFFFAOYSA-N
XLogP0.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
3-oxo-N-phenylbutanamide
CID 161275903
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
3-fluoro-N-phenylpropanamide
CID 70366284
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
4-chloro-3-oxo-N-phenylbutanamide;hydrochloride
CID 172827163
N'-hydroxy-N-phenyloxamide
CID 5008441
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-phenylpropanediamide?
The IUPAC name of N'-hydroxy-N-phenylpropanediamide (CID 20721653) is N'-hydroxy-N-phenylpropanediamide.
What is the SMILES notation for N'-hydroxy-N-phenylpropanediamide?
The canonical SMILES for N'-hydroxy-N-phenylpropanediamide is O=C(CC(=O)Nc1ccccc1)NO.
What is the InChIKey of N'-hydroxy-N-phenylpropanediamide?
The InChIKey is CJNDVJIYUGLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8(6-9(13)11-14)10-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,10,12)(H,11,13).
What are the key properties of N'-hydroxy-N-phenylpropanediamide?
N'-hydroxy-N-phenylpropanediamide has a molecular weight of 194.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-phenylpropanediamide is sourced from PubChem (CID 20721653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).