2-(2-carbamoyliminoethoxy)ethylideneurea

C6H10N4O3 — CID 57301603

IUPAC2-(2-carbamoyliminoethoxy)ethylideneurea
SMILESNC(=O)N=CCOCC=NC(N)=O
InChIInChI=1S/C6H10N4O3/c7-5(11)9-1-3-13-4-2-10-6(8)12/h1-2H,3-4H2,(H2,7,11)(H2,8,12)
InChIKeyRXTQPSIZMKJBBJ-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.70
Rot. Bonds4

About 2-(2-carbamoyliminoethoxy)ethylideneurea

2-(2-carbamoyliminoethoxy)ethylideneurea (PubChem CID 57301603) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-(2-carbamoyliminoethoxy)ethylideneurea.

Molecular Properties

Compound Name2-(2-carbamoyliminoethoxy)ethylideneurea
PubChem CID57301603
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name2-(2-carbamoyliminoethoxy)ethylideneurea
SMILESNC(=O)N=CCOCC=NC(N)=O
InChIInChI=1S/C6H10N4O3/c7-5(11)9-1-3-13-4-2-10-6(8)12/h1-2H,3-4H2,(H2,7,11)(H2,8,12)
InChIKeyRXTQPSIZMKJBBJ-UHFFFAOYSA-N
XLogP-0.70
TPSA120.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-carbamoyliminoethoxy)ethylideneurea 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

1,3-Bis(2-methoxyethylidene)urea
CID 57096564
2-Methoxyethylideneurea
CID 91020295
2-(2-Methoxyethoxy)ethylideneurea
CID 91281519
2-Carbamoyliminoethyl acetate
CID 91293820
2-Ethoxyethylideneurea
CID 150916438
2-Ethoxypropylideneurea
CID 174812399
4-Ethoxyimidazol-2-one;formaldehyde;urea
CID 174844419
2-Propoxyethylideneurea
CID 175299579

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyliminoethoxy)ethylideneurea?
The IUPAC name of 2-(2-carbamoyliminoethoxy)ethylideneurea (CID 57301603) is 2-(2-carbamoyliminoethoxy)ethylideneurea.
What is the SMILES notation for 2-(2-carbamoyliminoethoxy)ethylideneurea?
The canonical SMILES for 2-(2-carbamoyliminoethoxy)ethylideneurea is NC(=O)N=CCOCC=NC(N)=O.
What is the InChIKey of 2-(2-carbamoyliminoethoxy)ethylideneurea?
The InChIKey is RXTQPSIZMKJBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c7-5(11)9-1-3-13-4-2-10-6(8)12/h1-2H,3-4H2,(H2,7,11)(H2,8,12).
What are the key properties of 2-(2-carbamoyliminoethoxy)ethylideneurea?
2-(2-carbamoyliminoethoxy)ethylideneurea has a molecular weight of 186.17 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyliminoethoxy)ethylideneurea is sourced from PubChem (CID 57301603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).