1-(2-but-3-enoxyethyl)-3-propan-2-ylurea

C10H20N2O2 — CID 103852771

IUPAC1-(2-but-3-enoxyethyl)-3-propan-2-ylurea
SMILESC=CCCOCCNC(=O)NC(C)C
InChIInChI=1S/C10H20N2O2/c1-4-5-7-14-8-6-11-10(13)12-9(2)3/h4,9H,1,5-8H2,2-3H3,(H2,11,12,13)
InChIKeyXBXQOSJEAGVFCC-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.29
Rot. Bonds7

About 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea

1-(2-but-3-enoxyethyl)-3-propan-2-ylurea (PubChem CID 103852771) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-propan-2-ylurea
PubChem CID103852771
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-but-3-enoxyethyl)-3-propan-2-ylurea
SMILESC=CCCOCCNC(=O)NC(C)C
InChIInChI=1S/C10H20N2O2/c1-4-5-7-14-8-6-11-10(13)12-9(2)3/h4,9H,1,5-8H2,2-3H3,(H2,11,12,13)
InChIKeyXBXQOSJEAGVFCC-UHFFFAOYSA-N
XLogP1.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea 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-(2-But-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103853132
1-(2-Methoxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 103338601
1-(2-But-3-enoxyethyl)-3-butylurea
CID 103852770
1-(2-But-3-enoxyethyl)-3-cyclopropylurea
CID 103852772
1-(2-But-3-enoxyethyl)-3-methylurea
CID 103852773
2-But-3-enoxyethylurea
CID 103852774
1-(2-But-3-enoxyethyl)-3-ethylurea
CID 103852775
1-(2-But-3-enoxyethyl)-3-tert-butylurea
CID 103852776
1-(2-But-3-enoxyethyl)-3-propylurea
CID 103852778
1-(2-But-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
N-(2-but-3-enoxyethyl)morpholine-4-carboxamide
CID 103853131
3-(2-But-3-enoxyethyl)-1,1-dimethylurea
CID 103853136

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea (CID 103852771) is 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea is C=CCCOCCNC(=O)NC(C)C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea?
The InChIKey is XBXQOSJEAGVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-5-7-14-8-6-11-10(13)12-9(2)3/h4,9H,1,5-8H2,2-3H3,(H2,11,12,13).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea?
1-(2-but-3-enoxyethyl)-3-propan-2-ylurea has a molecular weight of 200.28 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-propan-2-ylurea is sourced from PubChem (CID 103852771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).