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

C21H26ClNO4 — CID 132659512

IUPAC2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26ClNO4/c1-4-17(27-18-10-6-5-9-16(18)22)21(24)23-13-7-8-15-11-12-19(25-2)20(14-15)26-3/h5-6,9-12,14,17H,4,7-8,13H2,1-3H3,(H,23,24)
InChIKeyPCBYMGAJSDJJOS-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.26
Rot. Bonds10

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

2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide (PubChem CID 132659512) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
PubChem CID132659512
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26ClNO4/c1-4-17(27-18-10-6-5-9-16(18)22)21(24)23-13-7-8-15-11-12-19(25-2)20(14-15)26-3/h5-6,9-12,14,17H,4,7-8,13H2,1-3H3,(H,23,24)
InChIKeyPCBYMGAJSDJJOS-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide (CID 132659512) is 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide is CCC(Oc1ccccc1Cl)C(=O)NCCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide?
The InChIKey is PCBYMGAJSDJJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-4-17(27-18-10-6-5-9-16(18)22)21(24)23-13-7-8-15-11-12-19(25-2)20(14-15)26-3/h5-6,9-12,14,17H,4,7-8,13H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide?
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide has a molecular weight of 391.90 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide is sourced from PubChem (CID 132659512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).