2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C22H29NO3 — CID 92685783

IUPAC2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)12-21(18-7-10-19(25-5)11-8-18)23-22(24)14-26-20-9-6-16(3)17(4)13-20/h6-11,13,15,21H,12,14H2,1-5H3,(H,23,24)/t21-/m0/s1
InChIKeyJBCBMCOUOJRZGP-NRFANRHFSA-N
MW355.48 g/mol
LogP4.59
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 92685783) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID92685783
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)12-21(18-7-10-19(25-5)11-8-18)23-22(24)14-26-20-9-6-16(3)17(4)13-20/h6-11,13,15,21H,12,14H2,1-5H3,(H,23,24)/t21-/m0/s1
InChIKeyJBCBMCOUOJRZGP-NRFANRHFSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46778602
2-(4-bromo-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92679472
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94016682
propan-2-yl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516719
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28635212
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 92685783) is 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is JBCBMCOUOJRZGP-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)12-21(18-7-10-19(25-5)11-8-18)23-22(24)14-26-20-9-6-16(3)17(4)13-20/h6-11,13,15,21H,12,14H2,1-5H3,(H,23,24)/t21-/m0/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 92685783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).