1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate

C18H33NO5 — CID 67760616

IUPAC1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
SMILESCCOC(=O)C(CC)C(=O)OCCCCCCCN1CCOCC1
InChIInChI=1S/C18H33NO5/c1-3-16(17(20)23-4-2)18(21)24-13-9-7-5-6-8-10-19-11-14-22-15-12-19/h16H,3-15H2,1-2H3
InChIKeyFVMNLEIXODZEAY-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.40
Rot. Bonds12

About 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate

1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate (PubChem CID 67760616) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate.

Molecular Properties

Compound Name1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
PubChem CID67760616
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Name1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
SMILESCCOC(=O)C(CC)C(=O)OCCCCCCCN1CCOCC1
InChIInChI=1S/C18H33NO5/c1-3-16(17(20)23-4-2)18(21)24-13-9-7-5-6-8-10-19-11-14-22-15-12-19/h16H,3-15H2,1-2H3
InChIKeyFVMNLEIXODZEAY-UHFFFAOYSA-N
XLogP2.40
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate 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

2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
4-(4-ethoxybutyl)morpholine
CID 10726253
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
ethyl acetate;4-propylmorpholine
CID 160534633
4-hexylmorpholine
CID 3614751

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate?
The IUPAC name of 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate (CID 67760616) is 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate.
What is the SMILES notation for 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate?
The canonical SMILES for 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate is CCOC(=O)C(CC)C(=O)OCCCCCCCN1CCOCC1.
What is the InChIKey of 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate?
The InChIKey is FVMNLEIXODZEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO5/c1-3-16(17(20)23-4-2)18(21)24-13-9-7-5-6-8-10-19-11-14-22-15-12-19/h16H,3-15H2,1-2H3.
What are the key properties of 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate?
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate has a molecular weight of 343.46 g/mol, XLogP of 2.40, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate is sourced from PubChem (CID 67760616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).