N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide

C20H23NO3 — CID 110612052

IUPACN-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C20H23NO3/c1-15-5-2-3-7-18(15)19(23)12-13-20(24)21-14-4-6-16-8-10-17(22)11-9-16/h2-3,5,7-11,22H,4,6,12-14H2,1H3,(H,21,24)
InChIKeyXNNFJLLPHUQQPN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.41
Rot. Bonds8

About N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide

N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide (PubChem CID 110612052) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
PubChem CID110612052
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C20H23NO3/c1-15-5-2-3-7-18(15)19(23)12-13-20(24)21-14-4-6-16-8-10-17(22)11-9-16/h2-3,5,7-11,22H,4,6,12-14H2,1H3,(H,21,24)
InChIKeyXNNFJLLPHUQQPN-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110411613
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
4-(4-chlorophenyl)-N-[3-(4-hydroxyphenyl)propyl]-4-oxobutanamide
CID 110618107
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110626396
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454
4-(2-methylphenyl)-4-oxo-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 110676266
4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110606798
4-(2-methylphenyl)-4-oxo-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110611000
N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide
CID 86972858
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide (CID 110612052) is N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide is Cc1ccccc1C(=O)CCC(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is XNNFJLLPHUQQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-5-2-3-7-18(15)19(23)12-13-20(24)21-14-4-6-16-8-10-17(22)11-9-16/h2-3,5,7-11,22H,4,6,12-14H2,1H3,(H,21,24).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110612052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).