5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide

C21H28N2O3 — CID 10089639

IUPAC5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
SMILESCOc1ccc(CN(C)C(=O)CCCCc2ccc(N)cc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-23(15-17-10-13-19(25-2)20(14-17)26-3)21(24)7-5-4-6-16-8-11-18(22)12-9-16/h8-14H,4-7,15,22H2,1-3H3
InChIKeyQFSIKAJQYPGUSJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.66
Rot. Bonds9

About 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide

5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide (PubChem CID 10089639) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
PubChem CID10089639
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
SMILESCOc1ccc(CN(C)C(=O)CCCCc2ccc(N)cc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-23(15-17-10-13-19(25-2)20(14-17)26-3)21(24)7-5-4-6-16-8-11-18(22)12-9-16/h8-14H,4-7,15,22H2,1-3H3
InChIKeyQFSIKAJQYPGUSJ-UHFFFAOYSA-N
XLogP3.66
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N-[(3,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 112792441
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
methyl 4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]benzoate
CID 37418458

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide (CID 10089639) is 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide is COc1ccc(CN(C)C(=O)CCCCc2ccc(N)cc2)cc1OC.
What is the InChIKey of 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
The InChIKey is QFSIKAJQYPGUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-23(15-17-10-13-19(25-2)20(14-17)26-3)21(24)7-5-4-6-16-8-11-18(22)12-9-16/h8-14H,4-7,15,22H2,1-3H3.
What are the key properties of 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide?
5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide has a molecular weight of 356.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 10089639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).