N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide

C25H35NO3 — CID 69031246

IUPACN-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
SMILESCCCCC(CC(C)C)c1cc(OC)ccc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C25H35NO3/c1-5-6-7-20(16-18(2)3)24-17-22(29-4)12-13-23(24)25(28)26-15-14-19-8-10-21(27)11-9-19/h8-13,17-18,20,27H,5-7,14-16H2,1-4H3,(H,26,28)
InChIKeyHWJHBWXOBZYMGP-UHFFFAOYSA-N
MW397.56 g/mol
LogP5.69
Rot. Bonds11

About N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide

N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide (PubChem CID 69031246) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
PubChem CID69031246
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
SMILESCCCCC(CC(C)C)c1cc(OC)ccc1C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C25H35NO3/c1-5-6-7-20(16-18(2)3)24-17-22(29-4)12-13-23(24)25(28)26-15-14-19-8-10-21(27)11-9-19/h8-13,17-18,20,27H,5-7,14-16H2,1-4H3,(H,26,28)
InChIKeyHWJHBWXOBZYMGP-UHFFFAOYSA-N
XLogP5.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
CID 69035347
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27884454
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide (CID 69031246) is N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide is CCCCC(CC(C)C)c1cc(OC)ccc1C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
The InChIKey is HWJHBWXOBZYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-5-6-7-20(16-18(2)3)24-17-22(29-4)12-13-23(24)25(28)26-15-14-19-8-10-21(27)11-9-19/h8-13,17-18,20,27H,5-7,14-16H2,1-4H3,(H,26,28).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide has a molecular weight of 397.56 g/mol, XLogP of 5.69, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide is sourced from PubChem (CID 69031246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).