N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide

C26H37NO4 — CID 69035347

IUPACN-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
SMILESCCCCC(CC(C)C)c1cc(OC)ccc1C(=O)NCCc1ccc(O)c(OC)c1
InChIInChI=1S/C26H37NO4/c1-6-7-8-20(15-18(2)3)23-17-21(30-4)10-11-22(23)26(29)27-14-13-19-9-12-24(28)25(16-19)31-5/h9-12,16-18,20,28H,6-8,13-15H2,1-5H3,(H,27,29)
InChIKeyQLJGJBKBWGQQBC-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.70
Rot. Bonds12

About N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide

N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide (PubChem CID 69035347) has the molecular formula C26H37NO4 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
PubChem CID69035347
Molecular FormulaC26H37NO4
Molecular Weight427.59 g/mol
Exact Mass427.27
IUPAC NameN-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
SMILESCCCCC(CC(C)C)c1cc(OC)ccc1C(=O)NCCc1ccc(O)c(OC)c1
InChIInChI=1S/C26H37NO4/c1-6-7-8-20(15-18(2)3)23-17-21(30-4)10-11-22(23)26(29)27-14-13-19-9-12-24(28)25(16-19)31-5/h9-12,16-18,20,28H,6-8,13-15H2,1-5H3,(H,27,29)
InChIKeyQLJGJBKBWGQQBC-UHFFFAOYSA-N
XLogP5.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide
CID 69031246
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27884454
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
The IUPAC name of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide (CID 69035347) is N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide.
What is the SMILES notation for N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
The canonical SMILES for N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide is CCCCC(CC(C)C)c1cc(OC)ccc1C(=O)NCCc1ccc(O)c(OC)c1.
What is the InChIKey of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
The InChIKey is QLJGJBKBWGQQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO4/c1-6-7-8-20(15-18(2)3)23-17-21(30-4)10-11-22(23)26(29)27-14-13-19-9-12-24(28)25(16-19)31-5/h9-12,16-18,20,28H,6-8,13-15H2,1-5H3,(H,27,29).
What are the key properties of N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide?
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide has a molecular weight of 427.59 g/mol, XLogP of 5.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methoxy-2-(2-methyloctan-4-yl)benzamide is sourced from PubChem (CID 69035347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).