N',N'-bis(2-aminophenyl)heptanediamide

C19H24N4O2 — CID 66893972

IUPACN',N'-bis(2-aminophenyl)heptanediamide
SMILESNC(=O)CCCCCC(=O)N(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C19H24N4O2/c20-14-8-4-6-10-16(14)23(17-11-7-5-9-15(17)21)19(25)13-3-1-2-12-18(22)24/h4-11H,1-3,12-13,20-21H2,(H2,22,24)
InChIKeyKJPZSZXGBIAFEF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.95
Rot. Bonds8

About N',N'-bis(2-aminophenyl)heptanediamide

N',N'-bis(2-aminophenyl)heptanediamide (PubChem CID 66893972) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N',N'-bis(2-aminophenyl)heptanediamide.

Molecular Properties

Compound NameN',N'-bis(2-aminophenyl)heptanediamide
PubChem CID66893972
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN',N'-bis(2-aminophenyl)heptanediamide
SMILESNC(=O)CCCCCC(=O)N(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C19H24N4O2/c20-14-8-4-6-10-16(14)23(17-11-7-5-9-15(17)21)19(25)13-3-1-2-12-18(22)24/h4-11H,1-3,12-13,20-21H2,(H2,22,24)
InChIKeyKJPZSZXGBIAFEF-UHFFFAOYSA-N
XLogP2.95
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-bis(2-aminophenyl)heptanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-aminophenyl)heptanediamide?
The IUPAC name of N',N'-bis(2-aminophenyl)heptanediamide (CID 66893972) is N',N'-bis(2-aminophenyl)heptanediamide.
What is the SMILES notation for N',N'-bis(2-aminophenyl)heptanediamide?
The canonical SMILES for N',N'-bis(2-aminophenyl)heptanediamide is NC(=O)CCCCCC(=O)N(c1ccccc1N)c1ccccc1N.
What is the InChIKey of N',N'-bis(2-aminophenyl)heptanediamide?
The InChIKey is KJPZSZXGBIAFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-14-8-4-6-10-16(14)23(17-11-7-5-9-15(17)21)19(25)13-3-1-2-12-18(22)24/h4-11H,1-3,12-13,20-21H2,(H2,22,24).
What are the key properties of N',N'-bis(2-aminophenyl)heptanediamide?
N',N'-bis(2-aminophenyl)heptanediamide has a molecular weight of 340.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-aminophenyl)heptanediamide is sourced from PubChem (CID 66893972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).