N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide

C26H29NO4 — CID 4110386

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2)c2cccc(C)c2O)cc1OC
InChIInChI=1S/C26H29NO4/c1-18-8-7-11-21(26(18)29)22(20-9-5-4-6-10-20)17-25(28)27-15-14-19-12-13-23(30-2)24(16-19)31-3/h4-13,16,22,29H,14-15,17H2,1-3H3,(H,27,28)
InChIKeyGLRGJNKSMLFADF-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.60
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide (PubChem CID 4110386) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
PubChem CID4110386
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2)c2cccc(C)c2O)cc1OC
InChIInChI=1S/C26H29NO4/c1-18-8-7-11-21(26(18)29)22(20-9-5-4-6-10-20)17-25(28)27-15-14-19-12-13-23(30-2)24(16-19)31-3/h4-13,16,22,29H,14-15,17H2,1-3H3,(H,27,28)
InChIKeyGLRGJNKSMLFADF-UHFFFAOYSA-N
XLogP4.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Dihydrocapsaicin
CID 107982
Nordihydrocapsaicin
CID 168836
(3S,5S)-5-(3-(Cyclopentyloxy)-4-methoxyphenyl)-3-((3-methylphenyl)methyl)-2-piperidinone
CID 9865375
Feruloyldopamine
CID 16119330
Octylhomovanillamide
CID 3041745
Homodihydrocapsaicin
CID 3084336
Davasaicin
CID 177287
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
N-oleylhomovanillamide
CID 6439143
(E)-3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 15086380
(alphaE)-4-Hydroxy-alpha-((4-hydroxy-3-methoxyphenyl)methylene)-N-(2-(4-hydroxyphenyl)ethyl)-3,5-dimethoxybenzeneacetamide
CID 5321487

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide (CID 4110386) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide is COc1ccc(CCNC(=O)CC(c2ccccc2)c2cccc(C)c2O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The InChIKey is GLRGJNKSMLFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-18-8-7-11-21(26(18)29)22(20-9-5-4-6-10-20)17-25(28)27-15-14-19-12-13-23(30-2)24(16-19)31-3/h4-13,16,22,29H,14-15,17H2,1-3H3,(H,27,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide has a molecular weight of 419.52 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 4110386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).