2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate

C12H18N4O4 — CID 57137953

IUPAC2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate
SMILESNCCOC(=O)NN(C(=O)NCCO)c1ccccc1
InChIInChI=1S/C12H18N4O4/c13-6-9-20-12(19)15-16(11(18)14-7-8-17)10-4-2-1-3-5-10/h1-5,17H,6-9,13H2,(H,14,18)(H,15,19)
InChIKeyNQBDRTRDGARNPF-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.21
Rot. Bonds5

About 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate

2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate (PubChem CID 57137953) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate.

Molecular Properties

Compound Name2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate
PubChem CID57137953
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate
SMILESNCCOC(=O)NN(C(=O)NCCO)c1ccccc1
InChIInChI=1S/C12H18N4O4/c13-6-9-20-12(19)15-16(11(18)14-7-8-17)10-4-2-1-3-5-10/h1-5,17H,6-9,13H2,(H,14,18)(H,15,19)
InChIKeyNQBDRTRDGARNPF-UHFFFAOYSA-N
XLogP-0.21
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate?
The IUPAC name of 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate (CID 57137953) is 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate.
What is the SMILES notation for 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate?
The canonical SMILES for 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate is NCCOC(=O)NN(C(=O)NCCO)c1ccccc1.
What is the InChIKey of 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate?
The InChIKey is NQBDRTRDGARNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c13-6-9-20-12(19)15-16(11(18)14-7-8-17)10-4-2-1-3-5-10/h1-5,17H,6-9,13H2,(H,14,18)(H,15,19).
What are the key properties of 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate?
2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate has a molecular weight of 282.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-[N-(2-hydroxyethylcarbamoyl)anilino]carbamate is sourced from PubChem (CID 57137953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).