ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate

C12H17N3O4 — CID 108871651

IUPACethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H17N3O4/c1-2-19-12(18)15(8-7-13)11(17)14-9-5-3-4-6-10(9)16/h3-6,16H,2,7-8,13H2,1H3,(H,14,17)
InChIKeyVMJRILHQUTYJOB-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.34
Rot. Bonds4

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

ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate (PubChem CID 108871651) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate
PubChem CID108871651
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Nameethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate
SMILESCCOC(=O)N(CCN)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H17N3O4/c1-2-19-12(18)15(8-7-13)11(17)14-9-5-3-4-6-10(9)16/h3-6,16H,2,7-8,13H2,1H3,(H,14,17)
InChIKeyVMJRILHQUTYJOB-UHFFFAOYSA-N
XLogP1.34
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-[(2-methylphenyl)carbamoyl]carbamate
CID 108894237
ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
CID 108866518
ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
CID 108900177
ethyl 4-(2-hydroxyanilino)-4-oxobut-2-enoate
CID 131843692
ethyl N-(2-aminoethyl)-N-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoyl]carbamate
CID 108889674
ethyl N-(2-aminoethyl)-N-(pentan-3-ylcarbamoyl)carbamate
CID 108888443
1-butyl-3-(2-hydroxyphenyl)-1-methylurea
CID 108871514
tert-butyl N-(2-aminoethyl)-N-[(3-methylphenyl)carbamoyl]carbamate
CID 108888023
ethyl N-(2-aminoethyl)-N-(3-oxobutylcarbamoyl)carbamate
CID 108895300
ethyl N-(2-aminoethyl)-N-[[(E)-2-methylbut-1-enyl]carbamoyl]carbamate
CID 108914537
tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
CID 108889283
ethyl N-(2-aminoethyl)-N-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]carbamate
CID 108914910

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate?
The IUPAC name of ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate (CID 108871651) is ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate?
The canonical SMILES for ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate is CCOC(=O)N(CCN)C(=O)Nc1ccccc1O.
What is the InChIKey of ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate?
The InChIKey is VMJRILHQUTYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-19-12(18)15(8-7-13)11(17)14-9-5-3-4-6-10(9)16/h3-6,16H,2,7-8,13H2,1H3,(H,14,17).
What are the key properties of ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate?
ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate has a molecular weight of 267.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminoethyl)-N-[(2-hydroxyphenyl)carbamoyl]carbamate is sourced from PubChem (CID 108871651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).