pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate

C20H41NO3 — CID 129286302

IUPACpentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
SMILESCCCCCCCCCN(CCO)CCCC(=O)OCCCCC
InChIInChI=1S/C20H41NO3/c1-3-5-7-8-9-10-11-15-21(17-18-22)16-13-14-20(23)24-19-12-6-4-2/h22H,3-19H2,1-2H3
InChIKeyMXKPYABCRWKCOM-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.54
Rot. Bonds18

About pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate

pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate (PubChem CID 129286302) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate.

Molecular Properties

Compound Namepentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
PubChem CID129286302
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Namepentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate
SMILESCCCCCCCCCN(CCO)CCCC(=O)OCCCCC
InChIInChI=1S/C20H41NO3/c1-3-5-7-8-9-10-11-15-21(17-18-22)16-13-14-20(23)24-19-12-6-4-2/h22H,3-19H2,1-2H3
InChIKeyMXKPYABCRWKCOM-UHFFFAOYSA-N
XLogP4.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

undecyl 6-[hexadecyl(2-hydroxyethyl)amino]hexanoate
CID 163381111
nonyl 8-[2-hydroxyethyl(propyl)amino]octanoate
CID 166923357
6-[(4-decoxy-4-oxobutyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430422
8-[2-hydroxyethyl(6-nonoxyhexyl)amino]octyl heptanoate
CID 176748587
6-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430453
8-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoic acid
CID 175221133
octyl 5-[6-hydroxyhexyl-(5-octoxy-5-oxopentyl)amino]pentanoate
CID 163217974
hexyl 5-[(5-hexoxy-5-oxopentyl)-(6-hydroxyhexyl)amino]pentanoate
CID 163217999
hexyl 9-[2-hydroxyethyl(8-octylhexadecyl)amino]nonanoate
CID 170756745
nonyl 8-[7-formyloxyheptyl(2-hydroxyethyl)amino]octanoate
CID 146475396
nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate
CID 169189887
pentyl 9-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]nonanoate
CID 171836806

Frequently Asked Questions

What is the IUPAC name of pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate?
The IUPAC name of pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate (CID 129286302) is pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate.
What is the SMILES notation for pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate?
The canonical SMILES for pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate is CCCCCCCCCN(CCO)CCCC(=O)OCCCCC.
What is the InChIKey of pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate?
The InChIKey is MXKPYABCRWKCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-3-5-7-8-9-10-11-15-21(17-18-22)16-13-14-20(23)24-19-12-6-4-2/h22H,3-19H2,1-2H3.
What are the key properties of pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate?
pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate has a molecular weight of 343.55 g/mol, XLogP of 4.54, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-[2-hydroxyethyl(nonyl)amino]butanoate is sourced from PubChem (CID 129286302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).