ethyl N-(benzenecarboximidoyl)carbamate

C10H12N2O2 — CID 137321100

IUPACethyl N-(benzenecarboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCC)c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)12-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13)
InChIKeyCPFCKDHSVGBMBJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.76
Rot. Bonds2

About ethyl N-(benzenecarboximidoyl)carbamate

ethyl N-(benzenecarboximidoyl)carbamate (PubChem CID 137321100) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl N-(benzenecarboximidoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(benzenecarboximidoyl)carbamate
PubChem CID137321100
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl N-(benzenecarboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCC)c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)12-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13)
InChIKeyCPFCKDHSVGBMBJ-UHFFFAOYSA-N
XLogP1.76
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl N-(benzenecarboximidoyl)carbamate
CID 173285751
2-[[4-(N-ethoxycarbonylcarbamimidoyl)benzoyl]amino]-3-oxo-2-phenoxypentanoic acid
CID 173314758
2-amino-N-(benzenecarboximidoyl)acetamide
CID 140551461
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
2-ethoxyethyl N-(4-aminobenzenecarboximidoyl)carbamate
CID 142339408
tris(N-(benzenecarboximidoyl)benzenecarboximidamide);tris(platinum(2+));propan-2-one;hexachloride;hydrate
CID 139128011
ethyl N-[4-[[(2-benzyl-1H-indole-3-carbonyl)amino]methyl]benzenecarboximidoyl]carbamate
CID 173056770
butyl N-(pyridine-3-carboximidoyl)carbamate
CID 173285765
ethyl N-(anilinocarbamoyl)carbamate
CID 11020506
benzamide;3-ethoxy-3-oxopropanoic acid
CID 174904101
2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate
CID 156546254
ethyl N-[(Z)-2,3-diphenylprop-2-enoyl]carbamate
CID 11289421

Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzenecarboximidoyl)carbamate?
The IUPAC name of ethyl N-(benzenecarboximidoyl)carbamate (CID 137321100) is ethyl N-(benzenecarboximidoyl)carbamate.
What is the SMILES notation for ethyl N-(benzenecarboximidoyl)carbamate?
The canonical SMILES for ethyl N-(benzenecarboximidoyl)carbamate is [H]/N=C(\NC(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl N-(benzenecarboximidoyl)carbamate?
The InChIKey is CPFCKDHSVGBMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-14-10(13)12-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13).
What are the key properties of ethyl N-(benzenecarboximidoyl)carbamate?
ethyl N-(benzenecarboximidoyl)carbamate has a molecular weight of 192.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzenecarboximidoyl)carbamate is sourced from PubChem (CID 137321100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).