N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide

C20H33N3O3 — CID 56967019

IUPACN-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
SMILESNCCCCCCNC(=O)CCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H33N3O3/c21-14-5-1-2-6-15-22-19(25)7-3-4-8-20(26)23-16-13-17-9-11-18(24)12-10-17/h9-12,24H,1-8,13-16,21H2,(H,22,25)(H,23,26)
InChIKeyMPXRGKXJZKRLLM-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.25
Rot. Bonds14

About N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide

N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide (PubChem CID 56967019) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
PubChem CID56967019
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
SMILESNCCCCCCNC(=O)CCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H33N3O3/c21-14-5-1-2-6-15-22-19(25)7-3-4-8-20(26)23-16-13-17-9-11-18(24)12-10-17/h9-12,24H,1-8,13-16,21H2,(H,22,25)(H,23,26)
InChIKeyMPXRGKXJZKRLLM-UHFFFAOYSA-N
XLogP2.25
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
6-amino-N-[2-(4-hydroxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 65292067
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide?
The IUPAC name of N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide (CID 56967019) is N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide.
What is the SMILES notation for N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide?
The canonical SMILES for N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide is NCCCCCCNC(=O)CCCCC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide?
The InChIKey is MPXRGKXJZKRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c21-14-5-1-2-6-15-22-19(25)7-3-4-8-20(26)23-16-13-17-9-11-18(24)12-10-17/h9-12,24H,1-8,13-16,21H2,(H,22,25)(H,23,26).
What are the key properties of N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide?
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide has a molecular weight of 363.50 g/mol, XLogP of 2.25, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide is sourced from PubChem (CID 56967019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).