N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C16H23N3O5 — CID 99956818

IUPACN-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H23N3O5/c1-10-12(14(21)19-15(22)17-10)8-13(20)18-11-2-5-24-16(9-11)3-6-23-7-4-16/h11H,2-9H2,1H3,(H,18,20)(H2,17,19,21,22)/t11-/m1/s1
InChIKeyFSWADMAYRZNRPO-LLVKDONJSA-N
MW337.38 g/mol
LogP-0.24
Rot. Bonds3

About N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 99956818) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID99956818
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H23N3O5/c1-10-12(14(21)19-15(22)17-10)8-13(20)18-11-2-5-24-16(9-11)3-6-23-7-4-16/h11H,2-9H2,1H3,(H,18,20)(H2,17,19,21,22)/t11-/m1/s1
InChIKeyFSWADMAYRZNRPO-LLVKDONJSA-N
XLogP-0.24
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 155950161
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
CID 79897971
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 162627396
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(1,9-dioxaspiro[5.5]undecan-4-yl)acetamide
CID 70735788
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
CID 127601692
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-ethyl-2-oxopyridine-4-carboxamide
CID 70780439
1-(1,9-dioxaspiro[5.5]undecan-4-ylamino)cyclobutane-1-carboxylic acid
CID 81167826
N-(1-oxaspiro[5.5]undecan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71968225
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(4-methyl-1H-indazol-7-yl)urea
CID 127605403
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 70714137

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 99956818) is N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1.
What is the InChIKey of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is FSWADMAYRZNRPO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10-12(14(21)19-15(22)17-10)8-13(20)18-11-2-5-24-16(9-11)3-6-23-7-4-16/h11H,2-9H2,1H3,(H,18,20)(H2,17,19,21,22)/t11-/m1/s1.
What are the key properties of N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 99956818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).