[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea

C8H16N6O3 — CID 71396195

IUPAC[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea
SMILESCCOC(C)C(C=NNC(N)=O)=NNC(N)=O
InChIInChI=1S/C8H16N6O3/c1-3-17-5(2)6(12-14-8(10)16)4-11-13-7(9)15/h4-5H,3H2,1-2H3,(H3,9,13,15)(H3,10,14,16)
InChIKeyJMUDXWIRQXKVIJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.91
Rot. Bonds6

About [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea

[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea (PubChem CID 71396195) has the molecular formula C8H16N6O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea.

Molecular Properties

Compound Name[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea
PubChem CID71396195
Molecular FormulaC8H16N6O3
Molecular Weight244.25 g/mol
Exact Mass244.13
IUPAC Name[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea
SMILESCCOC(C)C(C=NNC(N)=O)=NNC(N)=O
InChIInChI=1S/C8H16N6O3/c1-3-17-5(2)6(12-14-8(10)16)4-11-13-7(9)15/h4-5H,3H2,1-2H3,(H3,9,13,15)(H3,10,14,16)
InChIKeyJMUDXWIRQXKVIJ-UHFFFAOYSA-N
XLogP-0.91
TPSA144.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea 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

[(E)-2-oxobutylideneamino]urea
CID 55288593
[[(Z)-2,5,6-trimethylhept-4-en-3-ylidene]amino]urea
CID 5380500
[(E)-2-oxopropylideneamino]urea
CID 13238217
ethyl (3E)-3-(carbamoylhydrazinylidene)-2-oxobutanoate
CID 10845739
ethyl (Z)-3-[(E)-(carbamoylhydrazinylidene)methyl]-4,4,4-trifluorobut-2-enoate
CID 59939867
[(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea
CID 92524203
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
CID 138525483
sodium 2-ethoxypropanoate
CID 141029681
amino 2-ethoxypropanoate
CID 87914402
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390
diethyl 2-(carbamoylhydrazinylidene)butanedioate
CID 131879435
CID 21266963
CID 21266963

Frequently Asked Questions

What is the IUPAC name of [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea?
The IUPAC name of [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea (CID 71396195) is [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea.
What is the SMILES notation for [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea?
The canonical SMILES for [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea is CCOC(C)C(C=NNC(N)=O)=NNC(N)=O.
What is the InChIKey of [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea?
The InChIKey is JMUDXWIRQXKVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O3/c1-3-17-5(2)6(12-14-8(10)16)4-11-13-7(9)15/h4-5H,3H2,1-2H3,(H3,9,13,15)(H3,10,14,16).
What are the key properties of [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea?
[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea has a molecular weight of 244.25 g/mol, XLogP of -0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea is sourced from PubChem (CID 71396195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).