undecyl 2-morpholin-4-yl-2-oxoacetate

C17H31NO4 — CID 6422264

IUPACundecyl 2-morpholin-4-yl-2-oxoacetate
SMILESCCCCCCCCCCCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-13-22-17(20)16(19)18-11-14-21-15-12-18/h2-15H2,1H3
InChIKeyOMUQDLDTYFOKKU-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.92
Rot. Bonds10

About undecyl 2-morpholin-4-yl-2-oxoacetate

undecyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 6422264) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is undecyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Nameundecyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID6422264
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Nameundecyl 2-morpholin-4-yl-2-oxoacetate
SMILESCCCCCCCCCCCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-13-22-17(20)16(19)18-11-14-21-15-12-18/h2-15H2,1H3
InChIKeyOMUQDLDTYFOKKU-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-morpholin-4-yl-2-oxoacetate
CID 6422272
butane;1-O-heptyl 3-O-morpholin-4-yl propanedioate
CID 67683547
1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
CID 55554342
ditridecyl oxalate
CID 18377796
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
1-morpholin-4-yl-2-octan-2-ylidenebutane-1,3-dione
CID 71417393
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
butyl acetate;oxolane;propan-2-one
CID 158259250
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280

Frequently Asked Questions

What is the IUPAC name of undecyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of undecyl 2-morpholin-4-yl-2-oxoacetate (CID 6422264) is undecyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for undecyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for undecyl 2-morpholin-4-yl-2-oxoacetate is CCCCCCCCCCCOC(=O)C(=O)N1CCOCC1.
What is the InChIKey of undecyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is OMUQDLDTYFOKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-13-22-17(20)16(19)18-11-14-21-15-12-18/h2-15H2,1H3.
What are the key properties of undecyl 2-morpholin-4-yl-2-oxoacetate?
undecyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 313.44 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 6422264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).