ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate

C15H26N2O3 — CID 62027430

IUPACethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate
SMILESC=C(C)CN(CC)C(=O)CN(CC(=O)OCC)C1CC1
InChIInChI=1S/C15H26N2O3/c1-5-16(9-12(3)4)14(18)10-17(13-7-8-13)11-15(19)20-6-2/h13H,3,5-11H2,1-2,4H3
InChIKeyICRPBWIZFNEFFL-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.44
Rot. Bonds9

About ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate

ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate (PubChem CID 62027430) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate
PubChem CID62027430
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate
SMILESC=C(C)CN(CC)C(=O)CN(CC(=O)OCC)C1CC1
InChIInChI=1S/C15H26N2O3/c1-5-16(9-12(3)4)14(18)10-17(13-7-8-13)11-15(19)20-6-2/h13H,3,5-11H2,1-2,4H3
InChIKeyICRPBWIZFNEFFL-UHFFFAOYSA-N
XLogP1.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate (CID 62027430) is ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate is C=C(C)CN(CC)C(=O)CN(CC(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is ICRPBWIZFNEFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-16(9-12(3)4)14(18)10-17(13-7-8-13)11-15(19)20-6-2/h13H,3,5-11H2,1-2,4H3.
What are the key properties of ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 282.38 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 62027430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).