N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide

C20H31N3O — CID 126438656

IUPACN-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCCNC(=O)CN1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2)C1
InChIInChI=1S/C20H31N3O/c1-3-21-19(24)14-23-11-9-20(16-23)8-5-10-22(15-20)13-18-7-4-6-17(2)12-18/h4,6-7,12H,3,5,8-11,13-16H2,1-2H3,(H,21,24)/t20-/m1/s1
InChIKeyUFVDUKQQTNOILY-HXUWFJFHSA-N
MW329.49 g/mol
LogP2.42
Rot. Bonds5

About N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide

N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 126438656) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID126438656
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCCNC(=O)CN1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2)C1
InChIInChI=1S/C20H31N3O/c1-3-21-19(24)14-23-11-9-20(16-23)8-5-10-22(15-20)13-18-7-4-6-17(2)12-18/h4,6-7,12H,3,5,8-11,13-16H2,1-2H3,(H,21,24)/t20-/m1/s1
InChIKeyUFVDUKQQTNOILY-HXUWFJFHSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126442354
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
(2S)-2-[[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 166206670
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
2-(1,3-benzodioxol-4-ylmethyl)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 45247545
(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
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45172895

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide (CID 126438656) is N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide is CCNC(=O)CN1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2)C1.
What is the InChIKey of N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is UFVDUKQQTNOILY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-21-19(24)14-23-11-9-20(16-23)8-5-10-22(15-20)13-18-7-4-6-17(2)12-18/h4,6-7,12H,3,5,8-11,13-16H2,1-2H3,(H,21,24)/t20-/m1/s1.
What are the key properties of N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide?
N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5R)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 126438656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).