5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate

C29H57NO5 — CID 170224824

IUPAC5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate
SMILESCCCCCCCCC(CCCCCC)OC(=O)OCCCCCN(CC)CCCCCOC=O
InChIInChI=1S/C29H57NO5/c1-4-7-9-11-12-16-22-28(21-15-10-8-5-2)35-29(32)34-26-20-14-18-24-30(6-3)23-17-13-19-25-33-27-31/h27-28H,4-26H2,1-3H3
InChIKeyIAQHXYHPYOGROO-UHFFFAOYSA-N
MW499.78 g/mol
LogP8.06
Rot. Bonds27

About 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate

5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate (PubChem CID 170224824) has the molecular formula C29H57NO5 and a molecular weight of 499.78 g/mol. Its IUPAC name is 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate.

Molecular Properties

Compound Name5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate
PubChem CID170224824
Molecular FormulaC29H57NO5
Molecular Weight499.78 g/mol
Exact Mass499.42
IUPAC Name5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate
SMILESCCCCCCCCC(CCCCCC)OC(=O)OCCCCCN(CC)CCCCCOC=O
InChIInChI=1S/C29H57NO5/c1-4-7-9-11-12-16-22-28(21-15-10-8-5-2)35-29(32)34-26-20-14-18-24-30(6-3)23-17-13-19-25-33-27-31/h27-28H,4-26H2,1-3H3
InChIKeyIAQHXYHPYOGROO-UHFFFAOYSA-N
XLogP8.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.78
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate 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

heptadecan-9-yl 8-[ethyl(5-nonoxycarbonyloxypentyl)amino]octanoate
CID 170382924
heptadecan-9-yl 8-[6-dodecan-2-yloxycarbonyloxyhexyl(ethyl)amino]octanoate
CID 170382134
13-[butyl(ethyl)amino]tridecyl formate
CID 87852279
5-[ethyl(6-nonoxycarbonyloxyhexyl)amino]pentyl 2-octyldodecanoate
CID 170383491
8-[6-heptadecan-9-yloxycarbonyloxyhexyl(2-hydroxyethyl)amino]octanoic acid
CID 174317786
8-[8-docosan-11-yloxycarbonyloxyoctyl(2-hydroxyethyl)amino]octyl nonanoate
CID 176758883
nonyl 8-[6-heptadecan-9-yloxycarbonyloxyhexyl(3-hydroxypropyl)amino]octanoate
CID 174363755
8-[5-hydroxypentyl(8-octadecan-7-yloxycarbonyloxyoctyl)amino]octyl nonanoate
CID 176758936
4-[3-(diethylamino)propoxycarbonyloxy]-11-octanoyloxyundecanoic acid
CID 118168754
6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate
CID 171808087
ethane;ethanol;undecyl 8-[ethyl-(8-hexadecan-8-yloxy-8-oxooctyl)amino]octanoate
CID 155720658
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-(5-hydroxypentyl)amino]pentyl pentadecan-7-yl carbonate
CID 170390090

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate?
The IUPAC name of 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate (CID 170224824) is 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate.
What is the SMILES notation for 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate?
The canonical SMILES for 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate is CCCCCCCCC(CCCCCC)OC(=O)OCCCCCN(CC)CCCCCOC=O.
What is the InChIKey of 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate?
The InChIKey is IAQHXYHPYOGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57NO5/c1-4-7-9-11-12-16-22-28(21-15-10-8-5-2)35-29(32)34-26-20-14-18-24-30(6-3)23-17-13-19-25-33-27-31/h27-28H,4-26H2,1-3H3.
What are the key properties of 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate?
5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate has a molecular weight of 499.78 g/mol, XLogP of 8.06, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate is sourced from PubChem (CID 170224824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).