N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide

C22H35N3O — CID 126442354

IUPACN-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1cccc(CN2CCC[C@]3(CCN(CC(=O)NC(C)(C)C)C3)C2)c1
InChIInChI=1S/C22H35N3O/c1-18-7-5-8-19(13-18)14-24-11-6-9-22(16-24)10-12-25(17-22)15-20(26)23-21(2,3)4/h5,7-8,13H,6,9-12,14-17H2,1-4H3,(H,23,26)/t22-/m0/s1
InChIKeySIMZTJQRRIEMAN-QFIPXVFZSA-N
MW357.54 g/mol
LogP3.20
Rot. Bonds4

About N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide

N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 126442354) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID126442354
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC NameN-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1cccc(CN2CCC[C@]3(CCN(CC(=O)NC(C)(C)C)C3)C2)c1
InChIInChI=1S/C22H35N3O/c1-18-7-5-8-19(13-18)14-24-11-6-9-22(16-24)10-12-25(17-22)15-20(26)23-21(2,3)4/h5,7-8,13H,6,9-12,14-17H2,1-4H3,(H,23,26)/t22-/m0/s1
InChIKeySIMZTJQRRIEMAN-QFIPXVFZSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126438656
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
(2S)-2-[[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 166206670
(2R)-2-[[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)acetyl]amino]-3-phenylpropanoic acid;2,2,2-trifluoroacetic acid
CID 166206668
furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
3-[2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95712520
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159
2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 45247545

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide (CID 126442354) is N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide is Cc1cccc(CN2CCC[C@]3(CCN(CC(=O)NC(C)(C)C)C3)C2)c1.
What is the InChIKey of N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is SIMZTJQRRIEMAN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H35N3O/c1-18-7-5-8-19(13-18)14-24-11-6-9-22(16-24)10-12-25(17-22)15-20(26)23-21(2,3)4/h5,7-8,13H,6,9-12,14-17H2,1-4H3,(H,23,26)/t22-/m0/s1.
What are the key properties of N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 357.54 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 126442354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).