N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide

C19H23N3O3 — CID 78319017

IUPACN'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide
SMILESNc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C19H23N3O3/c20-16-9-4-5-10-17(16)22-19(25)12-3-1-2-11-18(24)21-14-7-6-8-15(23)13-14/h4-10,13,23H,1-3,11-12,20H2,(H,21,24)(H,22,25)
InChIKeyBMXYFFISZBUUHQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.50
Rot. Bonds8

About N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide

N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide (PubChem CID 78319017) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide.

Molecular Properties

Compound NameN'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide
PubChem CID78319017
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide
SMILESNc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C19H23N3O3/c20-16-9-4-5-10-17(16)22-19(25)12-3-1-2-11-18(24)21-14-7-6-8-15(23)13-14/h4-10,13,23H,1-3,11-12,20H2,(H,21,24)(H,22,25)
InChIKeyBMXYFFISZBUUHQ-UHFFFAOYSA-N
XLogP3.50
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide?
The IUPAC name of N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide (CID 78319017) is N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide.
What is the SMILES notation for N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide?
The canonical SMILES for N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide is Nc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc(O)c1.
What is the InChIKey of N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide?
The InChIKey is BMXYFFISZBUUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-16-9-4-5-10-17(16)22-19(25)12-3-1-2-11-18(24)21-14-7-6-8-15(23)13-14/h4-10,13,23H,1-3,11-12,20H2,(H,21,24)(H,22,25).
What are the key properties of N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide?
N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide has a molecular weight of 341.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminophenyl)-N-(3-hydroxyphenyl)heptanediamide is sourced from PubChem (CID 78319017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).