N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide

C22H29N3O3 — CID 17430818

IUPACN-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-7-5-16(6-8-17)13-24(18-9-10-18)19(26)14-25-20(27)22(23-21(25)28)11-3-4-12-22/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,23,28)
InChIKeyFVXXCRZNLYZLDG-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.17
Rot. Bonds6

About N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide

N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 17430818) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID17430818
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-7-5-16(6-8-17)13-24(18-9-10-18)19(26)14-25-20(27)22(23-21(25)28)11-3-4-12-22/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,23,28)
InChIKeyFVXXCRZNLYZLDG-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
CID 34457472
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426445
N-cyclopropyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17484154
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18201440
N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 55398366
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46632464
N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methylacetamide
CID 47093751
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 9401594

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 17430818) is N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide is CC(C)c1ccc(CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is FVXXCRZNLYZLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)17-7-5-16(6-8-17)13-24(18-9-10-18)19(26)14-25-20(27)22(23-21(25)28)11-3-4-12-22/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,23,28).
What are the key properties of N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 17430818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).