ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate

C11H21N3O3 — CID 108914537

IUPACethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)N/C=C(\C)CC
InChIInChI=1S/C11H21N3O3/c1-4-9(3)8-13-10(15)14(7-6-12)11(16)17-5-2/h8H,4-7,12H2,1-3H3,(H,13,15)/b9-8+
InChIKeyVVVDWZZCQVGWDK-CMDGGOBGSA-N
MW243.31 g/mol
LogP1.43
Rot. Bonds5

About ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate

ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate (PubChem CID 108914537) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate
PubChem CID108914537
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)N/C=C(\C)CC
InChIInChI=1S/C11H21N3O3/c1-4-9(3)8-13-10(15)14(7-6-12)11(16)17-5-2/h8H,4-7,12H2,1-3H3,(H,13,15)/b9-8+
InChIKeyVVVDWZZCQVGWDK-CMDGGOBGSA-N
XLogP1.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate
CID 108914910
ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
CID 108895300
ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate
CID 108888443
1,1-bis(2-methoxyethyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914394
ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
CID 108866518
ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate
CID 108871651
tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate
CID 108911610
ethyl 2-[[(E)-2-methylbut-1-enyl]carbamoylamino]acetate
CID 108914495
N-(2-aminoethyl)-N-propanoylpropanamide;ethane
CID 143333801
ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
CID 108900177
ethyl 4-[[(E)-2-methylbut-1-enyl]carbamoyl]piperazine-1-carboxylate
CID 108914484
2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 88559321

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate (CID 108914537) is ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate is CCOC(=O)N(CCN)C(=O)N/C=C(\C)CC.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate?
The InChIKey is VVVDWZZCQVGWDK-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-9(3)8-13-10(15)14(7-6-12)11(16)17-5-2/h8H,4-7,12H2,1-3H3,(H,13,15)/b9-8+.
What are the key properties of ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate?
ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate is sourced from PubChem (CID 108914537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).