N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide

C20H24N2O4 — CID 110423899

IUPACN-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-14(23)21-16-8-10-17(11-9-16)22-20(24)6-4-5-15-7-12-18(25-2)19(13-15)26-3/h7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyTUXXPWFCPFYQMI-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.62
Rot. Bonds8

About N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide

N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 110423899) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID110423899
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O4/c1-14(23)21-16-8-10-17(11-9-16)22-20(24)6-4-5-15-7-12-18(25-2)19(13-15)26-3/h7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyTUXXPWFCPFYQMI-UHFFFAOYSA-N
XLogP3.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
CID 110424664
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110428452
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide (CID 110423899) is N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is TUXXPWFCPFYQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(23)21-16-8-10-17(11-9-16)22-20(24)6-4-5-15-7-12-18(25-2)19(13-15)26-3/h7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 356.42 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 110423899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).