7-methyltetradecan-7-yl morpholine-4-carboxylate

C20H39NO3 — CID 139318939

IUPAC7-methyltetradecan-7-yl morpholine-4-carboxylate
SMILESCCCCCCCC(C)(CCCCCC)OC(=O)N1CCOCC1
InChIInChI=1S/C20H39NO3/c1-4-6-8-10-12-14-20(3,13-11-9-7-5-2)24-19(22)21-15-17-23-18-16-21/h4-18H2,1-3H3
InChIKeyUUOIQVDHNZSPSJ-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.54
Rot. Bonds12

About 7-methyltetradecan-7-yl morpholine-4-carboxylate

7-methyltetradecan-7-yl morpholine-4-carboxylate (PubChem CID 139318939) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 7-methyltetradecan-7-yl morpholine-4-carboxylate.

Molecular Properties

Compound Name7-methyltetradecan-7-yl morpholine-4-carboxylate
PubChem CID139318939
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name7-methyltetradecan-7-yl morpholine-4-carboxylate
SMILESCCCCCCCC(C)(CCCCCC)OC(=O)N1CCOCC1
InChIInChI=1S/C20H39NO3/c1-4-6-8-10-12-14-20(3,13-11-9-7-5-2)24-19(22)21-15-17-23-18-16-21/h4-18H2,1-3H3
InChIKeyUUOIQVDHNZSPSJ-UHFFFAOYSA-N
XLogP5.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl 16-[2-(dodecylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate
CID 164524196
N-(2-methyloctan-2-yl)-2-morpholin-4-ylacetamide
CID 3066158
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
9-methylnonadecan-9-yl octadecanoate
CID 87086259
undecyl 2-morpholin-4-yl-2-oxoacetate
CID 6422264
butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 67764639
octyl 2-morpholin-4-yl-2-oxoacetate
CID 6422272
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
4-[2-(4-methylnonan-4-yloxy)ethyl]morpholine
CID 126510289
1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
CID 55554342

Frequently Asked Questions

What is the IUPAC name of 7-methyltetradecan-7-yl morpholine-4-carboxylate?
The IUPAC name of 7-methyltetradecan-7-yl morpholine-4-carboxylate (CID 139318939) is 7-methyltetradecan-7-yl morpholine-4-carboxylate.
What is the SMILES notation for 7-methyltetradecan-7-yl morpholine-4-carboxylate?
The canonical SMILES for 7-methyltetradecan-7-yl morpholine-4-carboxylate is CCCCCCCC(C)(CCCCCC)OC(=O)N1CCOCC1.
What is the InChIKey of 7-methyltetradecan-7-yl morpholine-4-carboxylate?
The InChIKey is UUOIQVDHNZSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-4-6-8-10-12-14-20(3,13-11-9-7-5-2)24-19(22)21-15-17-23-18-16-21/h4-18H2,1-3H3.
What are the key properties of 7-methyltetradecan-7-yl morpholine-4-carboxylate?
7-methyltetradecan-7-yl morpholine-4-carboxylate has a molecular weight of 341.54 g/mol, XLogP of 5.54, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyltetradecan-7-yl morpholine-4-carboxylate is sourced from PubChem (CID 139318939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).