ethyl 2-morpholin-4-ylnonanoate;hydrochloride

C15H30ClNO3 — CID 117066801

IUPACethyl 2-morpholin-4-ylnonanoate;hydrochloride
SMILESCCCCCCCC(C(=O)OCC)N1CCOCC1.Cl
InChIInChI=1S/C15H29NO3.ClH/c1-3-5-6-7-8-9-14(15(17)19-4-2)16-10-12-18-13-11-16;/h14H,3-13H2,1-2H3;1H
InChIKeyHSXUHPRLDWHCGP-UHFFFAOYSA-N
MW307.86 g/mol
LogP3.03
Rot. Bonds9

About ethyl 2-morpholin-4-ylnonanoate;hydrochloride

ethyl 2-morpholin-4-ylnonanoate;hydrochloride (PubChem CID 117066801) has the molecular formula C15H30ClNO3 and a molecular weight of 307.86 g/mol. Its IUPAC name is ethyl 2-morpholin-4-ylnonanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-morpholin-4-ylnonanoate;hydrochloride
PubChem CID117066801
Molecular FormulaC15H30ClNO3
Molecular Weight307.86 g/mol
Exact Mass307.19
IUPAC Nameethyl 2-morpholin-4-ylnonanoate;hydrochloride
SMILESCCCCCCCC(C(=O)OCC)N1CCOCC1.Cl
InChIInChI=1S/C15H29NO3.ClH/c1-3-5-6-7-8-9-14(15(17)19-4-2)16-10-12-18-13-11-16;/h14H,3-13H2,1-2H3;1H
InChIKeyHSXUHPRLDWHCGP-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-morpholin-4-ylnonanoate;hydrochloride 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

ethyl 2-(aziridin-1-yl)octadecanoate
CID 21446509
2-morpholin-4-yldecanoic acid
CID 57259608
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
4-hexadecan-8-ylmorpholine
CID 126489366
1-amino-1-morpholin-4-ylheptadecan-4-one
CID 57166044
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate
CID 5125434
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
2-chloro-1-morpholin-4-ylnonan-1-one
CID 55048109
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2-dodecyltetradecanoate
CID 125289764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-ylnonanoate;hydrochloride?
The IUPAC name of ethyl 2-morpholin-4-ylnonanoate;hydrochloride (CID 117066801) is ethyl 2-morpholin-4-ylnonanoate;hydrochloride.
What is the SMILES notation for ethyl 2-morpholin-4-ylnonanoate;hydrochloride?
The canonical SMILES for ethyl 2-morpholin-4-ylnonanoate;hydrochloride is CCCCCCCC(C(=O)OCC)N1CCOCC1.Cl.
What is the InChIKey of ethyl 2-morpholin-4-ylnonanoate;hydrochloride?
The InChIKey is HSXUHPRLDWHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.ClH/c1-3-5-6-7-8-9-14(15(17)19-4-2)16-10-12-18-13-11-16;/h14H,3-13H2,1-2H3;1H.
What are the key properties of ethyl 2-morpholin-4-ylnonanoate;hydrochloride?
ethyl 2-morpholin-4-ylnonanoate;hydrochloride has a molecular weight of 307.86 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-ylnonanoate;hydrochloride is sourced from PubChem (CID 117066801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).