tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate

C22H41NO4 — CID 91717715

IUPACtetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
SMILESC=CCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C22H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-26-21(24)20(3)23(4)22(25)27-18-6-2/h6,20H,2,5,7-19H2,1,3-4H3
InChIKeyOSVNIFHZFLQQAR-UHFFFAOYSA-N
MW383.57 g/mol
LogP5.87
Rot. Bonds17

About tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate

tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate (PubChem CID 91717715) has the molecular formula C22H41NO4 and a molecular weight of 383.57 g/mol. Its IUPAC name is tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate.

Molecular Properties

Compound Nametetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
PubChem CID91717715
Molecular FormulaC22H41NO4
Molecular Weight383.57 g/mol
Exact Mass383.30
IUPAC Nametetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
SMILESC=CCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C22H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-26-21(24)20(3)23(4)22(25)27-18-6-2/h6,20H,2,5,7-19H2,1,3-4H3
InChIKeyOSVNIFHZFLQQAR-UHFFFAOYSA-N
XLogP5.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.87
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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Related Compounds

hexyl 2-[methyl-[2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91717809
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
decyl 2-[butoxycarbonyl(methyl)amino]propanoate
CID 91722884
decyl 2-[methyl(propoxycarbonyl)amino]propanoate
CID 91718697
4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717705
octadecyl 2-[methyl(2-methylpropoxycarbonyl)amino]propanoate
CID 91722858
hexyl 2-[3-chloropropoxycarbonyl(methyl)amino]propanoate
CID 91727204
hexadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725916
4-methylpentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91717720

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
The IUPAC name of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate (CID 91717715) is tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate.
What is the SMILES notation for tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
The canonical SMILES for tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate is C=CCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
The InChIKey is OSVNIFHZFLQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-26-21(24)20(3)23(4)22(25)27-18-6-2/h6,20H,2,5,7-19H2,1,3-4H3.
What are the key properties of tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate?
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate has a molecular weight of 383.57 g/mol, XLogP of 5.87, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate is sourced from PubChem (CID 91717715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).