2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide

C21H26ClNO2 — CID 132654221

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C21H26ClNO2/c1-5-15-9-8-10-16(6-2)20(15)23-21(24)19(7-3)25-17-11-12-18(22)14(4)13-17/h8-13,19H,5-7H2,1-4H3,(H,23,24)
InChIKeyMVGTVGAENZFZTO-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.57
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide

2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide (PubChem CID 132654221) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
PubChem CID132654221
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CC)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C21H26ClNO2/c1-5-15-9-8-10-16(6-2)20(15)23-21(24)19(7-3)25-17-11-12-18(22)14(4)13-17/h8-13,19H,5-7H2,1-4H3,(H,23,24)
InChIKeyMVGTVGAENZFZTO-UHFFFAOYSA-N
XLogP5.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132654423
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
methyl 3-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 53289013
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
CID 17217156
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 27233481
2-(4-chloro-3-methylphenoxy)-N-(2,4-difluorophenyl)butanamide
CID 53288921
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676372

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide (CID 132654221) is 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide is CCc1cccc(CC)c1NC(=O)C(CC)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide?
The InChIKey is MVGTVGAENZFZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-5-15-9-8-10-16(6-2)20(15)23-21(24)19(7-3)25-17-11-12-18(22)14(4)13-17/h8-13,19H,5-7H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide has a molecular weight of 359.90 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide is sourced from PubChem (CID 132654221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).