2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide

C21H26ClNO2 — CID 132654216

IUPAC2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(CC)c1ccc(C)cc1C
InChIInChI=1S/C21H26ClNO2/c1-5-19(18-11-10-14(3)12-15(18)4)23-21(24)20(6-2)25-17-9-7-8-16(22)13-17/h7-13,19-20H,5-6H2,1-4H3,(H,23,24)
InChIKeyTWNNOSBDYUADHR-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.38
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide

2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide (PubChem CID 132654216) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
PubChem CID132654216
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(CC)c1ccc(C)cc1C
InChIInChI=1S/C21H26ClNO2/c1-5-19(18-11-10-14(3)12-15(18)4)23-21(24)20(6-2)25-17-9-7-8-16(22)13-17/h7-13,19-20H,5-6H2,1-4H3,(H,23,24)
InChIKeyTWNNOSBDYUADHR-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide (CID 132654216) is 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC(CC)c1ccc(C)cc1C.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide?
The InChIKey is TWNNOSBDYUADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-5-19(18-11-10-14(3)12-15(18)4)23-21(24)20(6-2)25-17-9-7-8-16(22)13-17/h7-13,19-20H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide?
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide has a molecular weight of 359.90 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide is sourced from PubChem (CID 132654216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).