N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide

C21H28N4O3 — CID 55921327

IUPACN-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N(C1CC1)C(C)c1ccccn1)C2=O
InChIInChI=1S/C21H28N4O3/c1-14-8-10-21(11-9-14)19(27)24(20(28)23-21)13-18(26)25(16-6-7-16)15(2)17-5-3-4-12-22-17/h3-5,12,14-16H,6-11,13H2,1-2H3,(H,23,28)
InChIKeyVEVDZVKEWJYEBK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.63
Rot. Bonds5

About N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide

N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 55921327) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID55921327
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N(C1CC1)C(C)c1ccccn1)C2=O
InChIInChI=1S/C21H28N4O3/c1-14-8-10-21(11-9-14)19(27)24(20(28)23-21)13-18(26)25(16-6-7-16)15(2)17-5-3-4-12-22-17/h3-5,12,14-16H,6-11,13H2,1-2H3,(H,23,28)
InChIKeyVEVDZVKEWJYEBK-UHFFFAOYSA-N
XLogP2.63
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 34430725
2-[cyclopropyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 122067032
N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
CID 34457472
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46566048
3-acetamido-N-cyclopropyl-3-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 55921203
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8522010
N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17430818

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide (CID 55921327) is N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)N(C1CC1)C(C)c1ccccn1)C2=O.
What is the InChIKey of N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is VEVDZVKEWJYEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14-8-10-21(11-9-14)19(27)24(20(28)23-21)13-18(26)25(16-6-7-16)15(2)17-5-3-4-12-22-17/h3-5,12,14-16H,6-11,13H2,1-2H3,(H,23,28).
What are the key properties of N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide?
N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 55921327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).