4-[1-(2-hydroxyphenyl)ethylamino]butanamide

C12H18N2O2 — CID 60863382

IUPAC4-[1-(2-hydroxyphenyl)ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-9(14-8-4-7-12(13)16)10-5-2-3-6-11(10)15/h2-3,5-6,9,14-15H,4,7-8H2,1H3,(H2,13,16)
InChIKeyFUYVEBCISKPJDT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds6

About 4-[1-(2-hydroxyphenyl)ethylamino]butanamide

4-[1-(2-hydroxyphenyl)ethylamino]butanamide (PubChem CID 60863382) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[1-(2-hydroxyphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-(2-hydroxyphenyl)ethylamino]butanamide
PubChem CID60863382
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[1-(2-hydroxyphenyl)ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-9(14-8-4-7-12(13)16)10-5-2-3-6-11(10)15/h2-3,5-6,9,14-15H,4,7-8H2,1H3,(H2,13,16)
InChIKeyFUYVEBCISKPJDT-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
methyl 4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butanoate
CID 81388086
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
CID 63226241
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyphenyl)ethylamino]butanamide?
The IUPAC name of 4-[1-(2-hydroxyphenyl)ethylamino]butanamide (CID 60863382) is 4-[1-(2-hydroxyphenyl)ethylamino]butanamide.
What is the SMILES notation for 4-[1-(2-hydroxyphenyl)ethylamino]butanamide?
The canonical SMILES for 4-[1-(2-hydroxyphenyl)ethylamino]butanamide is CC(NCCCC(N)=O)c1ccccc1O.
What is the InChIKey of 4-[1-(2-hydroxyphenyl)ethylamino]butanamide?
The InChIKey is FUYVEBCISKPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14-8-4-7-12(13)16)10-5-2-3-6-11(10)15/h2-3,5-6,9,14-15H,4,7-8H2,1H3,(H2,13,16).
What are the key properties of 4-[1-(2-hydroxyphenyl)ethylamino]butanamide?
4-[1-(2-hydroxyphenyl)ethylamino]butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyphenyl)ethylamino]butanamide is sourced from PubChem (CID 60863382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).