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

C20H25NO4 — CID 110410210

IUPAC4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-23-17-10-7-16(8-11-17)14-21-20(22)6-4-5-15-9-12-18(24-2)19(13-15)25-3/h7-13H,4-6,14H2,1-3H3,(H,21,22)
InChIKeyIZEKFXMRPDGBIZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.35
Rot. Bonds9

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

4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 110410210) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID110410210
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-23-17-10-7-16(8-11-17)14-21-20(22)6-4-5-15-9-12-18(24-2)19(13-15)25-3/h7-13H,4-6,14H2,1-3H3,(H,21,22)
InChIKeyIZEKFXMRPDGBIZ-UHFFFAOYSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide (CID 110410210) is 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide is COc1ccc(CNC(=O)CCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is IZEKFXMRPDGBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-17-10-7-16(8-11-17)14-21-20(22)6-4-5-15-9-12-18(24-2)19(13-15)25-3/h7-13H,4-6,14H2,1-3H3,(H,21,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide?
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 343.42 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 110410210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).