2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide

C20H24ClNO3 — CID 132654423

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24ClNO3/c1-5-19(25-17-9-10-18(21)14(4)11-17)20(23)22-15-7-6-8-16(12-15)24-13(2)3/h6-13,19H,5H2,1-4H3,(H,22,23)
InChIKeyMFZZDQLFRJHOAS-UHFFFAOYSA-N
MW361.87 g/mol
LogP5.23
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide

2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide (PubChem CID 132654423) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
PubChem CID132654423
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24ClNO3/c1-5-19(25-17-9-10-18(21)14(4)11-17)20(23)22-15-7-6-8-16(12-15)24-13(2)3/h6-13,19H,5H2,1-4H3,(H,22,23)
InChIKeyMFZZDQLFRJHOAS-UHFFFAOYSA-N
XLogP5.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
methyl 3-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 53289013
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(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
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
2-(4-chloro-3-methylphenoxy)-N-(2,6-diethylphenyl)butanamide
CID 132654221
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
CID 17217156
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide (CID 132654423) is 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
The InChIKey is MFZZDQLFRJHOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-5-19(25-17-9-10-18(21)14(4)11-17)20(23)22-15-7-6-8-16(12-15)24-13(2)3/h6-13,19H,5H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide?
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide has a molecular weight of 361.87 g/mol, XLogP of 5.23, 7 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-(3-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 132654423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).