N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C21H31N3O3 — CID 17472285

IUPACN-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N3O3/c25-17(3-6-24-18(26)21(23-19(24)27)4-1-2-5-21)22-13-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-13H2,(H,22,25)(H,23,27)
InChIKeyJQWXFZWTUXEKGI-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.57
Rot. Bonds5

About N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 17472285) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID17472285
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N3O3/c25-17(3-6-24-18(26)21(23-19(24)27)4-1-2-5-21)22-13-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-13H2,(H,22,25)(H,23,27)
InChIKeyJQWXFZWTUXEKGI-UHFFFAOYSA-N
XLogP2.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.57
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-(2-adamantyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 17462541
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8658096
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120653070
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-piperidin-3-ylpropanamide
CID 119425679

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 17472285) is N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is JQWXFZWTUXEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-17(3-6-24-18(26)21(23-19(24)27)4-1-2-5-21)22-13-20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-13H2,(H,22,25)(H,23,27).
What are the key properties of N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 373.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 17472285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).