14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate

C20H39NO2 — CID 174290137

IUPAC14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)CCCCCCCCCCCN(C)C
InChIInChI=1S/C20H39NO2/c1-6-19(23-20(22)18(2)3)16-14-12-10-8-7-9-11-13-15-17-21(4)5/h19H,2,6-17H2,1,3-5H3
InChIKeyZBCPZCGYDWHDIP-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.35
Rot. Bonds15

About 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate

14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate (PubChem CID 174290137) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate
PubChem CID174290137
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)CCCCCCCCCCCN(C)C
InChIInChI=1S/C20H39NO2/c1-6-19(23-20(22)18(2)3)16-14-12-10-8-7-9-11-13-15-17-21(4)5/h19H,2,6-17H2,1,3-5H3
InChIKeyZBCPZCGYDWHDIP-UHFFFAOYSA-N
XLogP5.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11,11-dimethyldodecan-3-yl 2-methylprop-2-enoate
CID 164546841
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
1-(diethylamino)pentan-3-yl 2-methylprop-2-enoate
CID 150692893
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
undecan-5-yl 2-methylprop-2-enoate
CID 87158130
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
decan-4-yl 2-methylprop-2-enoate
CID 22149421
2,17-dimethyloctadecan-9-yl 2-methylprop-2-enoate
CID 142686582
8-phenoxyoctan-3-yl 2-methylprop-2-enoate
CID 175400272
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
1-(dioctylamino)hexyl 2-methylprop-2-enoate
CID 88745417

Frequently Asked Questions

What is the IUPAC name of 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate?
The IUPAC name of 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate (CID 174290137) is 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)CCCCCCCCCCCN(C)C.
What is the InChIKey of 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate?
The InChIKey is ZBCPZCGYDWHDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-6-19(23-20(22)18(2)3)16-14-12-10-8-7-9-11-13-15-17-21(4)5/h19H,2,6-17H2,1,3-5H3.
What are the key properties of 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate?
14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate has a molecular weight of 325.54 g/mol, XLogP of 5.35, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 174290137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).