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

C21H26ClNO4 — CID 132659513

IUPAC2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26ClNO4/c1-5-17(14-10-11-19(25-3)20(12-14)26-4)23-21(24)18(6-2)27-16-9-7-8-15(22)13-16/h7-13,17-18H,5-6H2,1-4H3,(H,23,24)
InChIKeyBRBWWSOQYYKWJX-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.78
Rot. Bonds9

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

2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide (PubChem CID 132659513) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
PubChem CID132659513
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26ClNO4/c1-5-17(14-10-11-19(25-3)20(12-14)26-4)23-21(24)18(6-2)27-16-9-7-8-15(22)13-16/h7-13,17-18H,5-6H2,1-4H3,(H,23,24)
InChIKeyBRBWWSOQYYKWJX-UHFFFAOYSA-N
XLogP4.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
(2S)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 100759702
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
CID 132654216
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132654231
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 132659871
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)propyl]butanamide
CID 132662597

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide (CID 132659513) is 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC(CC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide?
The InChIKey is BRBWWSOQYYKWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-5-17(14-10-11-19(25-3)20(12-14)26-4)23-21(24)18(6-2)27-16-9-7-8-15(22)13-16/h7-13,17-18H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide?
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide has a molecular weight of 391.90 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide is sourced from PubChem (CID 132659513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).