N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide

C32H33NO3 — CID 66602753

IUPACN-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2ccc(C)c(C)c2-c2ccc(-c3ccccc3)cc2)c1OC
InChIInChI=1S/C32H33NO3/c1-22-13-14-28(21-30(34)33-20-19-27-11-8-12-29(35-3)32(27)36-4)31(23(22)2)26-17-15-25(16-18-26)24-9-6-5-7-10-24/h5-18H,19-21H2,1-4H3,(H,33,34)
InChIKeyLIGXMIOHCREUQQ-UHFFFAOYSA-N
MW479.62 g/mol
LogP6.56
Rot. Bonds9

About N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide

N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide (PubChem CID 66602753) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide
PubChem CID66602753
Molecular FormulaC32H33NO3
Molecular Weight479.62 g/mol
Exact Mass479.25
IUPAC NameN-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2ccc(C)c(C)c2-c2ccc(-c3ccccc3)cc2)c1OC
InChIInChI=1S/C32H33NO3/c1-22-13-14-28(21-30(34)33-20-19-27-11-8-12-29(35-3)32(27)36-4)31(23(22)2)26-17-15-25(16-18-26)24-9-6-5-7-10-24/h5-18H,19-21H2,1-4H3,(H,33,34)
InChIKeyLIGXMIOHCREUQQ-UHFFFAOYSA-N
XLogP6.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943
2-(2,4-dimethoxy-3-methylphenyl)-N-(2-phenylethyl)acetamide
CID 110769821
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 155112281
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
2-(2-methoxyphenyl)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671433
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide
CID 66883253
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide (CID 66602753) is N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide is COc1cccc(CCNC(=O)Cc2ccc(C)c(C)c2-c2ccc(-c3ccccc3)cc2)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide?
The InChIKey is LIGXMIOHCREUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO3/c1-22-13-14-28(21-30(34)33-20-19-27-11-8-12-29(35-3)32(27)36-4)31(23(22)2)26-17-15-25(16-18-26)24-9-6-5-7-10-24/h5-18H,19-21H2,1-4H3,(H,33,34).
What are the key properties of N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide?
N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide has a molecular weight of 479.62 g/mol, XLogP of 6.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-phenylphenyl)phenyl]acetamide is sourced from PubChem (CID 66602753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).