dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

C19H35NO4 — CID 91713160

IUPACdodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C19H35NO4/c1-4-6-7-8-9-10-11-12-13-14-16-23-18(21)17-20(3)19(22)24-15-5-2/h5H,2,4,6-17H2,1,3H3
InChIKeyLVQAQGLVYNYDIT-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.70
Rot. Bonds15

About dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate

dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (PubChem CID 91713160) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namedodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
PubChem CID91713160
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Namedodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C19H35NO4/c1-4-6-7-8-9-10-11-12-13-14-16-23-18(21)17-20(3)19(22)24-15-5-2/h5H,2,4,6-17H2,1,3H3
InChIKeyLVQAQGLVYNYDIT-UHFFFAOYSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The IUPAC name of dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (CID 91713160) is dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.
What is the SMILES notation for dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The canonical SMILES for dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is C=CCOC(=O)N(C)CC(=O)OCCCCCCCCCCCC.
What is the InChIKey of dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The InChIKey is LVQAQGLVYNYDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-4-6-7-8-9-10-11-12-13-14-16-23-18(21)17-20(3)19(22)24-15-5-2/h5H,2,4,6-17H2,1,3H3.
What are the key properties of dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate has a molecular weight of 341.49 g/mol, XLogP of 4.70, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is sourced from PubChem (CID 91713160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).