N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide

C21H31N3O2 — CID 97494250

IUPACN,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide
SMILESCc1ccc(CNC2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16-4-6-17(7-5-16)14-22-18-8-11-21(12-9-18)13-10-19(25)24(21)15-20(26)23(2)3/h4-7,18,22H,8-15H2,1-3H3
InChIKeyUAPOTSIOOWGIHE-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.48
Rot. Bonds5

About N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide

N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide (PubChem CID 97494250) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide
PubChem CID97494250
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide
SMILESCc1ccc(CNC2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16-4-6-17(7-5-16)14-22-18-8-11-21(12-9-18)13-10-19(25)24(21)15-20(26)23(2)3/h4-7,18,22H,8-15H2,1-3H3
InChIKeyUAPOTSIOOWGIHE-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)acetamide
CID 97397454
1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155876706
1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155875735
1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397449
1-[(4-methylphenyl)methyl]-8-(oxolan-3-ylamino)-1-azaspiro[4.5]decan-2-one
CID 118747815
1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494267
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
3-[(4-methylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 117027705
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97397451
2-methyl-N-(4-methylcyclohexyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 3701224
8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
CID 97397463
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide (CID 97494250) is N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide is Cc1ccc(CNC2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide?
The InChIKey is UAPOTSIOOWGIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16-4-6-17(7-5-16)14-22-18-8-11-21(12-9-18)13-10-19(25)24(21)15-20(26)23(2)3/h4-7,18,22H,8-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide?
N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[8-[(4-methylphenyl)methylamino]-2-oxo-1-azaspiro[4.5]decan-1-yl]acetamide is sourced from PubChem (CID 97494250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).