4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide

C20H26N2O3 — CID 110424664

IUPAC4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-22(2)17-11-9-16(10-12-17)21-20(23)7-5-6-15-8-13-18(24-3)19(14-15)25-4/h8-14H,5-7H2,1-4H3,(H,21,23)
InChIKeyNALFECBLBRTHON-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.73
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide

4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide (PubChem CID 110424664) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
PubChem CID110424664
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O3/c1-22(2)17-11-9-16(10-12-17)21-20(23)7-5-6-15-8-13-18(24-3)19(14-15)25-4/h8-14H,5-7H2,1-4H3,(H,21,23)
InChIKeyNALFECBLBRTHON-UHFFFAOYSA-N
XLogP3.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221846
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110606172
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
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
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide (CID 110424664) is 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide is COc1ccc(CCCC(=O)Nc2ccc(N(C)C)cc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide?
The InChIKey is NALFECBLBRTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-22(2)17-11-9-16(10-12-17)21-20(23)7-5-6-15-8-13-18(24-3)19(14-15)25-4/h8-14H,5-7H2,1-4H3,(H,21,23).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide?
4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 3.73, 8 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-(dimethylamino)phenyl]butanamide is sourced from PubChem (CID 110424664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).