1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea

C19H27N3O3 — CID 97490738

IUPAC1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1
InChIInChI=1S/C19H27N3O3/c1-20-18(24)21-13-16-7-8-19(14-25-16)9-11-22(12-10-19)17(23)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyWJOJSIBXTIFPHE-MRXNPFEDSA-N
MW345.44 g/mol
LogP2.02
Rot. Bonds3

About 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea

1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea (PubChem CID 97490738) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
PubChem CID97490738
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1
InChIInChI=1S/C19H27N3O3/c1-20-18(24)21-13-16-7-8-19(14-25-16)9-11-22(12-10-19)17(23)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyWJOJSIBXTIFPHE-MRXNPFEDSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea 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-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
CID 97490740
1-[(9-benzyl-2-oxa-9-azaspiro[5.5]undecan-3-yl)methyl]-3-methylurea
CID 131642287
1-[[9-(3-methoxypyridine-4-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea
CID 131691202
1-methyl-3-[[9-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
CID 131688282
[3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-aminophenyl)methanone
CID 134073586
[3-[[(4-hydroxycyclohexyl)-methylamino]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 131678653
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
CID 155868036
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8596786
pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea (CID 97490738) is 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea is CNC(=O)NC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)CO1.
What is the InChIKey of 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
The InChIKey is WJOJSIBXTIFPHE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-20-18(24)21-13-16-7-8-19(14-25-16)9-11-22(12-10-19)17(23)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H2,20,21,24)/t16-/m1/s1.
What are the key properties of 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea?
1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea has a molecular weight of 345.44 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-9-benzoyl-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]-3-methylurea is sourced from PubChem (CID 97490738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).