N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide

C28H36ClN3O2 — CID 72618129

IUPACN-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Cl)cc1)C2=O)c1ccccc1
InChIInChI=1S/C28H36ClN3O2/c1-21(2)26(33)30-25(23-6-4-3-5-7-23)12-16-31-17-13-28(14-18-31)15-19-32(27(28)34)20-22-8-10-24(29)11-9-22/h3-11,21,25H,12-20H2,1-2H3,(H,30,33)
InChIKeyBCYSHLCZRRVWBG-UHFFFAOYSA-N
MW482.07 g/mol
LogP5.06
Rot. Bonds8

About N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide

N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide (PubChem CID 72618129) has the molecular formula C28H36ClN3O2 and a molecular weight of 482.07 g/mol. Its IUPAC name is N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
PubChem CID72618129
Molecular FormulaC28H36ClN3O2
Molecular Weight482.07 g/mol
Exact Mass481.25
IUPAC NameN-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Cl)cc1)C2=O)c1ccccc1
InChIInChI=1S/C28H36ClN3O2/c1-21(2)26(33)30-25(23-6-4-3-5-7-23)12-16-31-17-13-28(14-18-31)15-19-32(27(28)34)20-22-8-10-24(29)11-9-22/h3-11,21,25H,12-20H2,1-2H3,(H,30,33)
InChIKeyBCYSHLCZRRVWBG-UHFFFAOYSA-N
XLogP5.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.07
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
CID 72618166
2-methyl-N-[(1S)-3-[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide
CID 59998852
N-[(1S)-1-(3-chlorophenyl)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propyl]-2-methylpropanamide
CID 59999042
N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
CID 69373335
1-(2-chlorophenyl)-3-[3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]urea
CID 59998688
methyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
CID 59999024
N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide
CID 59998866
2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide
CID 72618105
N-[(1S)-3-[2-[(1-oxidopyridin-1-ium-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 59999102
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 11467678
2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
CID 59998982
ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
CID 59998838

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
The IUPAC name of N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide (CID 72618129) is N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide is CC(C)C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Cl)cc1)C2=O)c1ccccc1.
What is the InChIKey of N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
The InChIKey is BCYSHLCZRRVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN3O2/c1-21(2)26(33)30-25(23-6-4-3-5-7-23)12-16-31-17-13-28(14-18-31)15-19-32(27(28)34)20-22-8-10-24(29)11-9-22/h3-11,21,25H,12-20H2,1-2H3,(H,30,33).
What are the key properties of N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide?
N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide has a molecular weight of 482.07 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide is sourced from PubChem (CID 72618129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).