N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C18H29N3O3 — CID 7043970

IUPACN-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-12-6-8-14(9-7-12)19-15(22)11-21-16(23)18(20-17(21)24)10-4-3-5-13(18)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24)/t12?,13-,14?,18-/m1/s1
InChIKeyCNNHXDHHWGRXJM-MREFMGFSSA-N
MW335.45 g/mol
LogP2.18
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 7043970) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID7043970
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-12-6-8-14(9-7-12)19-15(22)11-21-16(23)18(20-17(21)24)10-4-3-5-13(18)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24)/t12?,13-,14?,18-/m1/s1
InChIKeyCNNHXDHHWGRXJM-MREFMGFSSA-N
XLogP2.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7043971
N-cyclohexyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2681010
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469751
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571997
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119458281
N-(cyclohexylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18777126
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 7043957
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-carbamoyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703407
N-methoxy-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46565248

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 7043970) is N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CC1CCC(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is CNNHXDHHWGRXJM-MREFMGFSSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12-6-8-14(9-7-12)19-15(22)11-21-16(23)18(20-17(21)24)10-4-3-5-13(18)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24)/t12?,13-,14?,18-/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 7043970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).