3-[(4-hydroxyphenyl)methylamino]propanamide

C10H14N2O2 — CID 43553347

IUPAC3-[(4-hydroxyphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(O)cc1
InChIInChI=1S/C10H14N2O2/c11-10(14)5-6-12-7-8-1-3-9(13)4-2-8/h1-4,12-13H,5-7H2,(H2,11,14)
InChIKeyOIQOBACXOJIHRZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.36
Rot. Bonds5

About 3-[(4-hydroxyphenyl)methylamino]propanamide

3-[(4-hydroxyphenyl)methylamino]propanamide (PubChem CID 43553347) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]propanamide
PubChem CID43553347
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[(4-hydroxyphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(O)cc1
InChIInChI=1S/C10H14N2O2/c11-10(14)5-6-12-7-8-1-3-9(13)4-2-8/h1-4,12-13H,5-7H2,(H2,11,14)
InChIKeyOIQOBACXOJIHRZ-UHFFFAOYSA-N
XLogP0.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
2-[(4-hydroxyphenyl)methylamino]acetamide
CID 16775960
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
3-[(2,4-dihydroxyphenyl)methylamino]propanamide
CID 43553298
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
3-[[4-[(2-carboxyethylamino)methyl]phenyl]methylamino]propanoic acid
CID 68738006
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]propanamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]propanamide (CID 43553347) is 3-[(4-hydroxyphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]propanamide is NC(=O)CCNCc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]propanamide?
The InChIKey is OIQOBACXOJIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-10(14)5-6-12-7-8-1-3-9(13)4-2-8/h1-4,12-13H,5-7H2,(H2,11,14).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]propanamide?
3-[(4-hydroxyphenyl)methylamino]propanamide has a molecular weight of 194.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43553347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).