2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C21H26ClNO3 — CID 46778602

IUPAC2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C21H26ClNO3/c1-14(2)11-20(16-5-7-17(25-4)8-6-16)23-21(24)13-26-18-9-10-19(22)15(3)12-18/h5-10,12,14,20H,11,13H2,1-4H3,(H,23,24)
InChIKeyBVBSQEGSAUFXHM-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.94
Rot. Bonds8

About 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 46778602) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID46778602
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C21H26ClNO3/c1-14(2)11-20(16-5-7-17(25-4)8-6-16)23-21(24)13-26-18-9-10-19(22)15(3)12-18/h5-10,12,14,20H,11,13H2,1-4H3,(H,23,24)
InChIKeyBVBSQEGSAUFXHM-UHFFFAOYSA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92685783
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
methyl (2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoate
CID 9289599
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 132662163
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328371
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43916161
(3S)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 7045094
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28635212
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 46778602) is 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is COc1ccc(C(CC(C)C)NC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is BVBSQEGSAUFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-14(2)11-20(16-5-7-17(25-4)8-6-16)23-21(24)13-26-18-9-10-19(22)15(3)12-18/h5-10,12,14,20H,11,13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 375.90 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 46778602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).