2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one

C19H29N3O — CID 50953250

IUPAC2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
SMILESCN1CCC2(CCN(C(=O)C(C)(C)Nc3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O/c1-18(2,20-16-7-5-4-6-8-16)17(23)22-13-10-19(11-14-22)9-12-21(3)15-19/h4-8,20H,9-15H2,1-3H3
InChIKeyHZWVBXWKUMNMJF-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.82
Rot. Bonds3

About 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one

2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 50953250) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID50953250
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
SMILESCN1CCC2(CCN(C(=O)C(C)(C)Nc3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3O/c1-18(2,20-16-7-5-4-6-8-16)17(23)22-13-10-19(11-14-22)9-12-21(3)15-19/h4-8,20H,9-15H2,1-3H3
InChIKeyHZWVBXWKUMNMJF-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
2-methyl-1-(4-methylpiperazin-1-yl)-2-(4-prop-1-en-2-ylanilino)propan-1-one
CID 23856583
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
2-anilino-2-methyl-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 134713612
6-(2-methyl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-pyridin-2-one
CID 50951821
2-methyl-8-(2-methyl-4-phenylpentan-2-yl)-2,8-diazaspiro[4.5]decane
CID 91106054
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
2-hydroxy-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-phenylpropan-1-one
CID 162629771
2-anilino-1-(3-azaspiro[5.5]undecan-3-yl)ethanone;hydrochloride
CID 119768979
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one (CID 50953250) is 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one is CN1CCC2(CCN(C(=O)C(C)(C)Nc3ccccc3)CC2)C1.
What is the InChIKey of 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is HZWVBXWKUMNMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-18(2,20-16-7-5-4-6-8-16)17(23)22-13-10-19(11-14-22)9-12-21(3)15-19/h4-8,20H,9-15H2,1-3H3.
What are the key properties of 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one?
2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-methyl-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 50953250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).