N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide

C23H31NO2 — CID 155562810

IUPACN-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide
SMILESCCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C23H31NO2/c1-6-12-23(13-7-2,20-9-11-22(26)17(4)15-20)19-8-10-21(16(3)14-19)24-18(5)25/h8-11,14-15,26H,6-7,12-13H2,1-5H3,(H,24,25)
InChIKeyABEBCBVFJORWKL-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.85
Rot. Bonds7

About N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide

N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide (PubChem CID 155562810) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide
PubChem CID155562810
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide
SMILESCCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C23H31NO2/c1-6-12-23(13-7-2,20-9-11-22(26)17(4)15-20)19-8-10-21(16(3)14-19)24-18(5)25/h8-11,14-15,26H,6-7,12-13H2,1-5H3,(H,24,25)
InChIKeyABEBCBVFJORWKL-UHFFFAOYSA-N
XLogP5.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide (CID 155562810) is N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide is CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide?
The InChIKey is ABEBCBVFJORWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-6-12-23(13-7-2,20-9-11-22(26)17(4)15-20)19-8-10-21(16(3)14-19)24-18(5)25/h8-11,14-15,26H,6-7,12-13H2,1-5H3,(H,24,25).
What are the key properties of N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide?
N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]acetamide is sourced from PubChem (CID 155562810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).