1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea

C16H20N2O3 — CID 111840807

IUPAC1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C16H20N2O3/c1-2-8-18(9-10-19)16(21)17-13-7-6-12-4-3-5-15(20)14(12)11-13/h2,6-7,11,19H,1,3-5,8-10H2,(H,17,21)
InChIKeyZMHTYANMSLBPCX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea (PubChem CID 111840807) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea
PubChem CID111840807
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C16H20N2O3/c1-2-8-18(9-10-19)16(21)17-13-7-6-12-4-3-5-15(20)14(12)11-13/h2,6-7,11,19H,1,3-5,8-10H2,(H,17,21)
InChIKeyZMHTYANMSLBPCX-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840828
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
3-(3-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111475913
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 115633231
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
1-(2-hydroxyethyl)-3-(3-methylsulfinylphenyl)-1-prop-2-enylurea
CID 111426579
3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111443397
2-methyl-3-[methyl-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)carbamoyl]amino]propanoic acid
CID 122103283
1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea
CID 111618107
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840820

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea (CID 111840807) is 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea?
The InChIKey is ZMHTYANMSLBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-8-18(9-10-19)16(21)17-13-7-6-12-4-3-5-15(20)14(12)11-13/h2,6-7,11,19H,1,3-5,8-10H2,(H,17,21).
What are the key properties of 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea has a molecular weight of 288.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea is sourced from PubChem (CID 111840807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).