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

C17H31NO4 — CID 91713130

IUPACdecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCCCC
InChIInChI=1S/C17H31NO4/c1-4-6-7-8-9-10-11-12-14-21-16(19)15-18(3)17(20)22-13-5-2/h5H,2,4,6-15H2,1,3H3
InChIKeyNWSIBZRURYAVMO-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.92
Rot. Bonds13

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

decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (PubChem CID 91713130) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namedecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
PubChem CID91713130
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Namedecyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)OCCCCCCCCCC
InChIInChI=1S/C17H31NO4/c1-4-6-7-8-9-10-11-12-14-21-16(19)15-18(3)17(20)22-13-5-2/h5H,2,4,6-15H2,1,3H3
InChIKeyNWSIBZRURYAVMO-UHFFFAOYSA-N
XLogP3.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.92
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 decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The IUPAC name of decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate (CID 91713130) is decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate.
What is the SMILES notation for decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The canonical SMILES for decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is C=CCOC(=O)N(C)CC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
The InChIKey is NWSIBZRURYAVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-4-6-7-8-9-10-11-12-14-21-16(19)15-18(3)17(20)22-13-5-2/h5H,2,4,6-15H2,1,3H3.
What are the key properties of decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate?
decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate has a molecular weight of 313.44 g/mol, XLogP of 3.92, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate is sourced from PubChem (CID 91713130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).