3-(dimethylamino)tetradecan-2-yl prop-2-enoate

C19H37NO2 — CID 175175507

IUPAC3-(dimethylamino)tetradecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C(CCCCCCCCCCC)N(C)C
InChIInChI=1S/C19H37NO2/c1-6-8-9-10-11-12-13-14-15-16-18(20(4)5)17(3)22-19(21)7-2/h7,17-18H,2,6,8-16H2,1,3-5H3
InChIKeyPVKZJUDYIDNQHJ-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.96
Rot. Bonds14

About 3-(dimethylamino)tetradecan-2-yl prop-2-enoate

3-(dimethylamino)tetradecan-2-yl prop-2-enoate (PubChem CID 175175507) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 3-(dimethylamino)tetradecan-2-yl prop-2-enoate.

Molecular Properties

Compound Name3-(dimethylamino)tetradecan-2-yl prop-2-enoate
PubChem CID175175507
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name3-(dimethylamino)tetradecan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C(CCCCCCCCCCC)N(C)C
InChIInChI=1S/C19H37NO2/c1-6-8-9-10-11-12-13-14-15-16-18(20(4)5)17(3)22-19(21)7-2/h7,17-18H,2,6,8-16H2,1,3-5H3
InChIKeyPVKZJUDYIDNQHJ-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.96
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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)tetradecan-2-yl prop-2-enoate?
The IUPAC name of 3-(dimethylamino)tetradecan-2-yl prop-2-enoate (CID 175175507) is 3-(dimethylamino)tetradecan-2-yl prop-2-enoate.
What is the SMILES notation for 3-(dimethylamino)tetradecan-2-yl prop-2-enoate?
The canonical SMILES for 3-(dimethylamino)tetradecan-2-yl prop-2-enoate is C=CC(=O)OC(C)C(CCCCCCCCCCC)N(C)C.
What is the InChIKey of 3-(dimethylamino)tetradecan-2-yl prop-2-enoate?
The InChIKey is PVKZJUDYIDNQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-6-8-9-10-11-12-13-14-15-16-18(20(4)5)17(3)22-19(21)7-2/h7,17-18H,2,6,8-16H2,1,3-5H3.
What are the key properties of 3-(dimethylamino)tetradecan-2-yl prop-2-enoate?
3-(dimethylamino)tetradecan-2-yl prop-2-enoate has a molecular weight of 311.51 g/mol, XLogP of 4.96, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)tetradecan-2-yl prop-2-enoate is sourced from PubChem (CID 175175507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).