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

C17H19NO2 — CID 115582195

IUPACN-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(O)cc1
InChIInChI=1S/C17H19NO2/c19-16-11-9-15(10-12-16)13-18-17(20)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,19H,4,7-8,13H2,(H,18,20)
InChIKeyITDVEUYCYGJTJM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.03
Rot. Bonds6

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

N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide (PubChem CID 115582195) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide
PubChem CID115582195
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(O)cc1
InChIInChI=1S/C17H19NO2/c19-16-11-9-15(10-12-16)13-18-17(20)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,19H,4,7-8,13H2,(H,18,20)
InChIKeyITDVEUYCYGJTJM-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide (CID 115582195) is N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide?
The InChIKey is ITDVEUYCYGJTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16-11-9-15(10-12-16)13-18-17(20)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,19H,4,7-8,13H2,(H,18,20).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide?
N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide has a molecular weight of 269.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 115582195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).