2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide

C26H35N3O2 — CID 129457422

IUPAC2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)c1cccc(C)c1
InChIInChI=1S/C26H35N3O2/c1-3-29(23-12-7-9-21(2)17-23)25(31)20-27-16-14-26(24(30)19-27)13-8-15-28(26)18-22-10-5-4-6-11-22/h4-7,9-12,17,24,30H,3,8,13-16,18-20H2,1-2H3/t24-,26-/m0/s1
InChIKeyPLLMMVCPXRZNFT-AHWVRZQESA-N
MW421.59 g/mol
LogP3.45
Rot. Bonds6

About 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 129457422) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID129457422
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)c1cccc(C)c1
InChIInChI=1S/C26H35N3O2/c1-3-29(23-12-7-9-21(2)17-23)25(31)20-27-16-14-26(24(30)19-27)13-8-15-28(26)18-22-10-5-4-6-11-22/h4-7,9-12,17,24,30H,3,8,13-16,18-20H2,1-2H3/t24-,26-/m0/s1
InChIKeyPLLMMVCPXRZNFT-AHWVRZQESA-N
XLogP3.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125006324
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 110166578
4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 110162145
2-[(3R)-3-benzyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 110162348
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 110155983
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151
2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
CID 108520654
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
3-[(3S)-1-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812498

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 129457422) is 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)c1cccc(C)c1.
What is the InChIKey of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is PLLMMVCPXRZNFT-AHWVRZQESA-N. The full InChI is InChI=1S/C26H35N3O2/c1-3-29(23-12-7-9-21(2)17-23)25(31)20-27-16-14-26(24(30)19-27)13-8-15-28(26)18-22-10-5-4-6-11-22/h4-7,9-12,17,24,30H,3,8,13-16,18-20H2,1-2H3/t24-,26-/m0/s1.
What are the key properties of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 421.59 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 129457422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).