2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H30N2O3 — CID 72854155

IUPAC2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(C)c1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C22H30N2O3/c1-16-4-3-5-18(27-2)20(16)21(26)23-12-10-22(11-13-23)9-8-19(25)24(15-22)14-17-6-7-17/h3-5,17H,6-15H2,1-2H3
InChIKeyJEEXHTSJPOIEAA-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.26
Rot. Bonds4

About 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72854155) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72854155
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(C)c1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C22H30N2O3/c1-16-4-3-5-18(27-2)20(16)21(26)23-12-10-22(11-13-23)9-8-19(25)24(15-22)14-17-6-7-17/h3-5,17H,6-15H2,1-2H3
InChIKeyJEEXHTSJPOIEAA-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one 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

9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
9-(2-hydroxy-3-methoxybenzoyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72852626
2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897031
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
9-(4-methoxy-3-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97133808
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72923432
2-(cyclopropylmethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124816533
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 97142480
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72854155) is 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is COc1cccc(C)c1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JEEXHTSJPOIEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-4-3-5-18(27-2)20(16)21(26)23-12-10-22(11-13-23)9-8-19(25)24(15-22)14-17-6-7-17/h3-5,17H,6-15H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72854155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).