ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate

C12H13N3O4 — CID 7978445

IUPACethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C12H13N3O4/c1-2-18-12(17)15-14-11(16)8-19-10-5-3-9(7-13)4-6-10/h3-6H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyZFSVROLOIUCELE-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.71
Rot. Bonds4

About ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate

ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate (PubChem CID 7978445) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
PubChem CID7978445
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Nameethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C12H13N3O4/c1-2-18-12(17)15-14-11(16)8-19-10-5-3-9(7-13)4-6-10/h3-6H,2,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyZFSVROLOIUCELE-UHFFFAOYSA-N
XLogP0.71
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
2-(4-cyanophenoxy)-N'-hex-1-en-2-ylacetohydrazide
CID 2432444
2-(4-cyanophenoxy)-N-(pentan-3-ylideneamino)acetamide
CID 4082940
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
N'-[2-(4-cyanophenoxy)acetyl]-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9323375
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate?
The IUPAC name of ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate (CID 7978445) is ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate?
The canonical SMILES for ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate is CCOC(=O)NNC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate?
The InChIKey is ZFSVROLOIUCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-2-18-12(17)15-14-11(16)8-19-10-5-3-9(7-13)4-6-10/h3-6H,2,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate?
ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate has a molecular weight of 263.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-(4-cyanophenoxy)acetyl]amino]carbamate is sourced from PubChem (CID 7978445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).