4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide

C17H20N2O2 — CID 114332251

IUPAC4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCc1ccccc1O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c18-15(13-6-2-1-3-7-13)10-11-17(21)19-12-14-8-4-5-9-16(14)20/h1-9,15,20H,10-12,18H2,(H,19,21)
InChIKeyGTJQHCDYOXXUGV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.49
Rot. Bonds6

About 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide

4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide (PubChem CID 114332251) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
PubChem CID114332251
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCc1ccccc1O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c18-15(13-6-2-1-3-7-13)10-11-17(21)19-12-14-8-4-5-9-16(14)20/h1-9,15,20H,10-12,18H2,(H,19,21)
InChIKeyGTJQHCDYOXXUGV-UHFFFAOYSA-N
XLogP2.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide
CID 63324005
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide (CID 114332251) is 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide is NC(CCC(=O)NCc1ccccc1O)c1ccccc1.
What is the InChIKey of 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide?
The InChIKey is GTJQHCDYOXXUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-15(13-6-2-1-3-7-13)10-11-17(21)19-12-14-8-4-5-9-16(14)20/h1-9,15,20H,10-12,18H2,(H,19,21).
What are the key properties of 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide?
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide has a molecular weight of 284.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 114332251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).