N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide

C20H25NO4 — CID 46769433

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-17(25-16-8-6-7-14(2)11-16)20(22)21-13-15-9-10-18(23-3)19(12-15)24-4/h6-12,17H,5,13H2,1-4H3,(H,21,22)
InChIKeyWZOGRTJKLMGKPE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.49
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide (PubChem CID 46769433) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
PubChem CID46769433
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-17(25-16-8-6-7-14(2)11-16)20(22)21-13-15-9-10-18(23-3)19(12-15)24-4/h6-12,17H,5,13H2,1-4H3,(H,21,22)
InChIKeyWZOGRTJKLMGKPE-UHFFFAOYSA-N
XLogP3.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
(2R)-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 28631512
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide (CID 46769433) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide is CCC(Oc1cccc(C)c1)C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is WZOGRTJKLMGKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-17(25-16-8-6-7-14(2)11-16)20(22)21-13-15-9-10-18(23-3)19(12-15)24-4/h6-12,17H,5,13H2,1-4H3,(H,21,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 343.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 46769433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).