ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate

C12H16N2O3 — CID 57098744

IUPACethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)N=Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(16)14(8-9-15)13-10-11-6-4-3-5-7-11/h3-7,10,15H,2,8-9H2,1H3
InChIKeyWVDKXLDVPFGVCM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.47
Rot. Bonds5

About ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate

ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate (PubChem CID 57098744) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate
PubChem CID57098744
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate
SMILESCCOC(=O)N(CCO)N=Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-2-17-12(16)14(8-9-15)13-10-11-6-4-3-5-7-11/h3-7,10,15H,2,8-9H2,1H3
InChIKeyWVDKXLDVPFGVCM-UHFFFAOYSA-N
XLogP1.47
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea
CID 57116545
ethyl 2-(benzylidenehydrazinylidene)acetate
CID 71441090
1-benzyl-1-(benzylideneamino)urea
CID 71443494
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
methyl 2-[[(E)-benzylideneamino]-(3-ethoxy-3-oxopropanoyl)amino]benzoate
CID 87254958
ethyl N-butyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 134102406
ethyl 2-(benzylideneamino)hex-2-enoate
CID 54050285
ethyl N-[(4-chlorophenyl)methylideneamino]-N-(trichloromethylsulfanyl)carbamate
CID 154478618
methyl 3-[(benzylideneamino)-(3-ethoxy-3-oxopropanoyl)amino]thiophene-2-carboxylate
CID 67063420
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl N-butyl-N-[(E)-ethylideneamino]carbamate
CID 130340573

Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate (CID 57098744) is ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate is CCOC(=O)N(CCO)N=Cc1ccccc1.
What is the InChIKey of ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate?
The InChIKey is WVDKXLDVPFGVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-17-12(16)14(8-9-15)13-10-11-6-4-3-5-7-11/h3-7,10,15H,2,8-9H2,1H3.
What are the key properties of ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate?
ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 57098744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).