(5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate

C17H26N2O4 — CID 70517041

IUPAC(5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate
SMILESCCc1ccc(OC(=O)OCCCCCN2CCOCC2)nc1
InChIInChI=1S/C17H26N2O4/c1-2-15-6-7-16(18-14-15)23-17(20)22-11-5-3-4-8-19-9-12-21-13-10-19/h6-7,14H,2-5,8-13H2,1H3
InChIKeyXLHQOTHPUBVENO-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.66
Rot. Bonds8

About (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate

(5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate (PubChem CID 70517041) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate.

Molecular Properties

Compound Name(5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate
PubChem CID70517041
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate
SMILESCCc1ccc(OC(=O)OCCCCCN2CCOCC2)nc1
InChIInChI=1S/C17H26N2O4/c1-2-15-6-7-16(18-14-15)23-17(20)22-11-5-3-4-8-19-9-12-21-13-10-19/h6-7,14H,2-5,8-13H2,1H3
InChIKeyXLHQOTHPUBVENO-UHFFFAOYSA-N
XLogP2.66
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
S-amino 6-[4-(2-morpholin-4-ylethyl)phenoxy]pyridine-3-carbothioate;ethane
CID 142876359
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
CID 170886109
[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
CID 68955424
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate?
The IUPAC name of (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate (CID 70517041) is (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate.
What is the SMILES notation for (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate?
The canonical SMILES for (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate is CCc1ccc(OC(=O)OCCCCCN2CCOCC2)nc1.
What is the InChIKey of (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate?
The InChIKey is XLHQOTHPUBVENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-2-15-6-7-16(18-14-15)23-17(20)22-11-5-3-4-8-19-9-12-21-13-10-19/h6-7,14H,2-5,8-13H2,1H3.
What are the key properties of (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate?
(5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate has a molecular weight of 322.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-pyridinyl) 5-morpholin-4-ylpentyl carbonate is sourced from PubChem (CID 70517041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).