2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide

C21H31N3O — CID 72841925

IUPAC2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC2(CC1)CC(c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H31N3O/c1-22-20(25)15-23-11-9-21(10-12-23)13-18(17-5-3-2-4-6-17)14-24(16-21)19-7-8-19/h2-6,18-19H,7-16H2,1H3,(H,22,25)
InChIKeyHWEAYAAHUJUUQP-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.47
Rot. Bonds4

About 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide

2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide (PubChem CID 72841925) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
PubChem CID72841925
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCC2(CC1)CC(c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H31N3O/c1-22-20(25)15-23-11-9-21(10-12-23)13-18(17-5-3-2-4-6-17)14-24(16-21)19-7-8-19/h2-6,18-19H,7-16H2,1H3,(H,22,25)
InChIKeyHWEAYAAHUJUUQP-UHFFFAOYSA-N
XLogP2.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 97199559
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97190011
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
CID 97202997
1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
5-[[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 97270180
(4R)-2-cyclopropyl-9-[(5-methyl-1H-imidazol-4-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97208828
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 97208119
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
N-cyclopropyl-3-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)propanamide
CID 72891317
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide
CID 97116302
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide?
The IUPAC name of 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide (CID 72841925) is 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide is CNC(=O)CN1CCC2(CC1)CC(c1ccccc1)CN(C1CC1)C2.
What is the InChIKey of 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide?
The InChIKey is HWEAYAAHUJUUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-22-20(25)15-23-11-9-21(10-12-23)13-18(17-5-3-2-4-6-17)14-24(16-21)19-7-8-19/h2-6,18-19H,7-16H2,1H3,(H,22,25).
What are the key properties of 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide?
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide has a molecular weight of 341.50 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide is sourced from PubChem (CID 72841925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).