1-naphthalen-1-yl-3-prop-2-enoxyurea

C14H14N2O2 — CID 4604383

IUPAC1-naphthalen-1-yl-3-prop-2-enoxyurea
SMILESC=CCONC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-2-10-18-16-14(17)15-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2,(H2,15,16,17)
InChIKeyVJNKJTIWVLIFGK-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.08
Rot. Bonds4

About 1-naphthalen-1-yl-3-prop-2-enoxyurea

1-naphthalen-1-yl-3-prop-2-enoxyurea (PubChem CID 4604383) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-prop-2-enoxyurea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-prop-2-enoxyurea
PubChem CID4604383
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-naphthalen-1-yl-3-prop-2-enoxyurea
SMILESC=CCONC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H14N2O2/c1-2-10-18-16-14(17)15-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2,(H2,15,16,17)
InChIKeyVJNKJTIWVLIFGK-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.08
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-naphthalen-1-yl-3-prop-2-enoxyurea 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-naphthalen-1-yl-3-(2-phenylethoxy)urea
CID 5119624
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N-prop-2-enoxynaphthalene-1-carboxamide
CID 71365701
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
CID 40634959
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
CID 108911459
naphthalen-1-ylurea;hydrochloride
CID 141142203
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-prop-2-enoxyurea?
The IUPAC name of 1-naphthalen-1-yl-3-prop-2-enoxyurea (CID 4604383) is 1-naphthalen-1-yl-3-prop-2-enoxyurea.
What is the SMILES notation for 1-naphthalen-1-yl-3-prop-2-enoxyurea?
The canonical SMILES for 1-naphthalen-1-yl-3-prop-2-enoxyurea is C=CCONC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-prop-2-enoxyurea?
The InChIKey is VJNKJTIWVLIFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-10-18-16-14(17)15-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2,(H2,15,16,17).
What are the key properties of 1-naphthalen-1-yl-3-prop-2-enoxyurea?
1-naphthalen-1-yl-3-prop-2-enoxyurea has a molecular weight of 242.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-prop-2-enoxyurea is sourced from PubChem (CID 4604383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).