ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate

C13H19N3O3 — CID 108866518

IUPACethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)16(9-8-14)12(17)15-11-6-4-10(2)5-7-11/h4-7H,3,8-9,14H2,1-2H3,(H,15,17)
InChIKeyLOHMMSAMKGRHGC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.94
Rot. Bonds4

About ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate

ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate (PubChem CID 108866518) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
PubChem CID108866518
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)16(9-8-14)12(17)15-11-6-4-10(2)5-7-11/h4-7H,3,8-9,14H2,1-2H3,(H,15,17)
InChIKeyLOHMMSAMKGRHGC-UHFFFAOYSA-N
XLogP1.94
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
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ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate
CID 91621124
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CID 108888443
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(2-aminoethyl)-N-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoyl]carbamate
CID 108889674
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328
ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
CID 108895300
ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate
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diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate (CID 108866518) is ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate is CCOC(=O)N(CCN)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate?
The InChIKey is LOHMMSAMKGRHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-13(18)16(9-8-14)12(17)15-11-6-4-10(2)5-7-11/h4-7H,3,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate?
ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.94, 4 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-[(4-methylphenyl)carbamoyl]carbamate is sourced from PubChem (CID 108866518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).