N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide

C23H32N4O3 — CID 45281463

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CNC(C)c1ccc3c(c1)CCCC3)C2=O
InChIInChI=1S/C23H32N4O3/c1-15-9-11-23(12-10-15)21(29)27(22(30)25-23)26-20(28)14-24-16(2)18-8-7-17-5-3-4-6-19(17)13-18/h7-8,13,15-16,24H,3-6,9-12,14H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyYRQWNDKKUBZZMB-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.75
Rot. Bonds5

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide (PubChem CID 45281463) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
PubChem CID45281463
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CNC(C)c1ccc3c(c1)CCCC3)C2=O
InChIInChI=1S/C23H32N4O3/c1-15-9-11-23(12-10-15)21(29)27(22(30)25-23)26-20(28)14-24-16(2)18-8-7-17-5-3-4-6-19(17)13-18/h7-8,13,15-16,24H,3-6,9-12,14H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyYRQWNDKKUBZZMB-UHFFFAOYSA-N
XLogP2.75
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 45355784
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536014
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132494
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9292446
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 9396712
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8558028
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 51227850
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9396548
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 16566298
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 27802433
3-[3-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methyl]phenyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 167892371
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 8503480

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide (CID 45281463) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CNC(C)c1ccc3c(c1)CCCC3)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide?
The InChIKey is YRQWNDKKUBZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-15-9-11-23(12-10-15)21(29)27(22(30)25-23)26-20(28)14-24-16(2)18-8-7-17-5-3-4-6-19(17)13-18/h7-8,13,15-16,24H,3-6,9-12,14H2,1-2H3,(H,25,30)(H,26,28).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide has a molecular weight of 412.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide is sourced from PubChem (CID 45281463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).