3-amino-N-(4-hydroxyphenyl)propanamide

C9H12N2O2 — CID 43710647

IUPAC3-amino-N-(4-hydroxyphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C9H12N2O2/c10-6-5-9(13)11-7-1-3-8(12)4-2-7/h1-4,12H,5-6,10H2,(H,11,13)
InChIKeyZQPPWKWNKBNZDZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-N-(4-hydroxyphenyl)propanamide

3-amino-N-(4-hydroxyphenyl)propanamide (PubChem CID 43710647) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxyphenyl)propanamide
PubChem CID43710647
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-amino-N-(4-hydroxyphenyl)propanamide
SMILESNCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C9H12N2O2/c10-6-5-9(13)11-7-1-3-8(12)4-2-7/h1-4,12H,5-6,10H2,(H,11,13)
InChIKeyZQPPWKWNKBNZDZ-UHFFFAOYSA-N
XLogP0.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N'-(3,4-dihydroxyphenyl)-N-(4-hydroxyphenyl)butanediamide
CID 142837694
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(4-hydroxyphenyl)propanamide (CID 43710647) is 3-amino-N-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(4-hydroxyphenyl)propanamide is NCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 3-amino-N-(4-hydroxyphenyl)propanamide?
The InChIKey is ZQPPWKWNKBNZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-6-5-9(13)11-7-1-3-8(12)4-2-7/h1-4,12H,5-6,10H2,(H,11,13).
What are the key properties of 3-amino-N-(4-hydroxyphenyl)propanamide?
3-amino-N-(4-hydroxyphenyl)propanamide has a molecular weight of 180.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 43710647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).