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

C26H45N3O3 — CID 56967020

IUPACN-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
SMILESNCCCCCCNC(=O)CCCCCCCCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C26H45N3O3/c27-20-11-7-8-12-21-28-25(31)13-9-5-3-1-2-4-6-10-14-26(32)29-22-19-23-15-17-24(30)18-16-23/h15-18,30H,1-14,19-22,27H2,(H,28,31)(H,29,32)
InChIKeyVUBGHNDARYHMMS-UHFFFAOYSA-N
MW447.66 g/mol
LogP4.59
Rot. Bonds20

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

N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide (PubChem CID 56967020) has the molecular formula C26H45N3O3 and a molecular weight of 447.66 g/mol. Its IUPAC name is N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
PubChem CID56967020
Molecular FormulaC26H45N3O3
Molecular Weight447.66 g/mol
Exact Mass447.35
IUPAC NameN-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
SMILESNCCCCCCNC(=O)CCCCCCCCCCC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C26H45N3O3/c27-20-11-7-8-12-21-28-25(31)13-9-5-3-1-2-4-6-10-14-26(32)29-22-19-23-15-17-24(30)18-16-23/h15-18,30H,1-14,19-22,27H2,(H,28,31)(H,29,32)
InChIKeyVUBGHNDARYHMMS-UHFFFAOYSA-N
XLogP4.59
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.66
LogP ≤ 54.59
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]hexanediamide
CID 56967019
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]dodecanediamide?
The IUPAC name of N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide (CID 56967020) is N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide.
What is the SMILES notation for N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide?
The canonical SMILES for N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide is NCCCCCCNC(=O)CCCCCCCCCCC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide?
The InChIKey is VUBGHNDARYHMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O3/c27-20-11-7-8-12-21-28-25(31)13-9-5-3-1-2-4-6-10-14-26(32)29-22-19-23-15-17-24(30)18-16-23/h15-18,30H,1-14,19-22,27H2,(H,28,31)(H,29,32).
What are the key properties of N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide?
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide has a molecular weight of 447.66 g/mol, XLogP of 4.59, 20 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]dodecanediamide is sourced from PubChem (CID 56967020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).