ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate

C12H23N3O3 — CID 108914910

IUPACethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)N/C=C(\C)C(C)C
InChIInChI=1S/C12H23N3O3/c1-5-18-12(17)15(7-6-13)11(16)14-8-10(4)9(2)3/h8-9H,5-7,13H2,1-4H3,(H,14,16)/b10-8+
InChIKeyHFKNPJBSTXYHBC-CSKARUKUSA-N
MW257.33 g/mol
LogP1.67
Rot. Bonds5

About ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate

ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate (PubChem CID 108914910) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate
PubChem CID108914910
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)N/C=C(\C)C(C)C
InChIInChI=1S/C12H23N3O3/c1-5-18-12(17)15(7-6-13)11(16)14-8-10(4)9(2)3/h8-9H,5-7,13H2,1-4H3,(H,14,16)/b10-8+
InChIKeyHFKNPJBSTXYHBC-CSKARUKUSA-N
XLogP1.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate
CID 108914537
ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate
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ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
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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 N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
CID 108900177
ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 124908313
ethyl N-ethyl-N-(methylcarbamoyl)carbamate
CID 165094929
ethyl N-(2-aminoethyl)-N-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoyl]carbamate
CID 108889674
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride
CID 174331184

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate (CID 108914910) is ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate is CCOC(=O)N(CCN)C(=O)N/C=C(\C)C(C)C.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate?
The InChIKey is HFKNPJBSTXYHBC-CSKARUKUSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-18-12(17)15(7-6-13)11(16)14-8-10(4)9(2)3/h8-9H,5-7,13H2,1-4H3,(H,14,16)/b10-8+.
What are the key properties of ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate?
ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 1.67, 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)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate is sourced from PubChem (CID 108914910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).