ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate

C20H34N2O4 — CID 175439207

IUPACethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate
SMILESCC[N+](C)(C)C.O=C([O-])CCCCCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4.C5H14N/c17-13-9-7-12(8-10-13)15(20)16-11-5-3-1-2-4-6-14(18)19;1-5-6(2,3)4/h7-10,17H,1-6,11H2,(H,16,20)(H,18,19);5H2,1-4H3/q;+1/p-1
InChIKeyCVWBIHQHQUDEKE-UHFFFAOYSA-M
MW366.50 g/mol
LogP1.92
Rot. Bonds10

About ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate

ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate (PubChem CID 175439207) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate
PubChem CID175439207
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Nameethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate
SMILESCC[N+](C)(C)C.O=C([O-])CCCCCCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4.C5H14N/c17-13-9-7-12(8-10-13)15(20)16-11-5-3-1-2-4-6-14(18)19;1-5-6(2,3)4/h7-10,17H,1-6,11H2,(H,16,20)(H,18,19);5H2,1-4H3/q;+1/p-1
InChIKeyCVWBIHQHQUDEKE-UHFFFAOYSA-M
XLogP1.92
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

lithium 4-[(4-hydroxybenzoyl)amino]butanoate
CID 142769153
N-decyl-4-hydroxybenzamide
CID 15277871
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107
4-hydroxy-N-icosa-5,8,11,14-tetraenylbenzamide
CID 53394478
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate?
The IUPAC name of ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate (CID 175439207) is ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate.
What is the SMILES notation for ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate?
The canonical SMILES for ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate is CC[N+](C)(C)C.O=C([O-])CCCCCCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate?
The InChIKey is CVWBIHQHQUDEKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21NO4.C5H14N/c17-13-9-7-12(8-10-13)15(20)16-11-5-3-1-2-4-6-14(18)19;1-5-6(2,3)4/h7-10,17H,1-6,11H2,(H,16,20)(H,18,19);5H2,1-4H3/q;+1/p-1.
What are the key properties of ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate?
ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate has a molecular weight of 366.50 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;8-[(4-hydroxybenzoyl)amino]octanoate is sourced from PubChem (CID 175439207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).