N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide

C21H27N3O4 — CID 71483836

IUPACN'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
SMILESCOc1ccc(NC(=O)CCCCCC(=O)Nc2cccc(N)c2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-27-18-12-11-17(14-19(18)28-2)24-21(26)10-5-3-4-9-20(25)23-16-8-6-7-15(22)13-16/h6-8,11-14H,3-5,9-10,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMVIQWEXWVFHVCJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.81
Rot. Bonds10

About N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide

N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide (PubChem CID 71483836) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide.

Molecular Properties

Compound NameN'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
PubChem CID71483836
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
SMILESCOc1ccc(NC(=O)CCCCCC(=O)Nc2cccc(N)c2)cc1OC
InChIInChI=1S/C21H27N3O4/c1-27-18-12-11-17(14-19(18)28-2)24-21(26)10-5-3-4-9-20(25)23-16-8-6-7-15(22)13-16/h6-8,11-14H,3-5,9-10,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMVIQWEXWVFHVCJ-UHFFFAOYSA-N
XLogP3.81
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82862923
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide?
The IUPAC name of N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide (CID 71483836) is N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide.
What is the SMILES notation for N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide?
The canonical SMILES for N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide is COc1ccc(NC(=O)CCCCCC(=O)Nc2cccc(N)c2)cc1OC.
What is the InChIKey of N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide?
The InChIKey is MVIQWEXWVFHVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-27-18-12-11-17(14-19(18)28-2)24-21(26)10-5-3-4-9-20(25)23-16-8-6-7-15(22)13-16/h6-8,11-14H,3-5,9-10,22H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide?
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide has a molecular weight of 385.46 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide is sourced from PubChem (CID 71483836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).