1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea

C19H25N3O3 — CID 119052021

IUPAC1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NC1CCC(=O)NC12CCC2
InChIInChI=1S/C19H25N3O3/c1-2-12-25-15-7-4-3-6-14(15)13-20-18(24)21-16-8-9-17(23)22-19(16)10-5-11-19/h2-4,6-7,16H,1,5,8-13H2,(H,22,23)(H2,20,21,24)
InChIKeyNTIXYTYAXYGRSX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.25
Rot. Bonds6

About 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea

1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea (PubChem CID 119052021) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
PubChem CID119052021
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
SMILESC=CCOc1ccccc1CNC(=O)NC1CCC(=O)NC12CCC2
InChIInChI=1S/C19H25N3O3/c1-2-12-25-15-7-4-3-6-14(15)13-20-18(24)21-16-8-9-17(23)22-19(16)10-5-11-19/h2-4,6-7,16H,1,5,8-13H2,(H,22,23)(H2,20,21,24)
InChIKeyNTIXYTYAXYGRSX-UHFFFAOYSA-N
XLogP2.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea with MolForge

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Related Compounds

2-[2-(difluoromethoxy)phenyl]-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)acetamide
CID 126799465
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111117251
N-[(2-prop-2-enoxyphenyl)methyl]piperidine-4-carboxamide
CID 119323072
1-(2-hydroxyethyl)-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 111116921
1-(2-methyl-2-pyridin-4-ylpropyl)-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
CID 124736285
4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672
2-[(2-prop-2-enoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184878
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
9-amino-N-[(2-prop-2-enoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989577
1-[3-(2-methylpropylsulfanyl)propyl]-3-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
CID 100750816
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The IUPAC name of 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea (CID 119052021) is 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The canonical SMILES for 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea is C=CCOc1ccccc1CNC(=O)NC1CCC(=O)NC12CCC2.
What is the InChIKey of 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
The InChIKey is NTIXYTYAXYGRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-12-25-15-7-4-3-6-14(15)13-20-18(24)21-16-8-9-17(23)22-19(16)10-5-11-19/h2-4,6-7,16H,1,5,8-13H2,(H,22,23)(H2,20,21,24).
What are the key properties of 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea?
1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-5-azaspiro[3.5]nonan-9-yl)-3-[(2-prop-2-enoxyphenyl)methyl]urea is sourced from PubChem (CID 119052021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).