N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide

C24H26N4O3 — CID 176780636

IUPACN-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
SMILESN#Cc1cn(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26N4O3/c25-13-18-14-28(23(31)27-22(18)30)6-5-21(29)26-20-3-1-19(2-4-20)24-10-15-7-16(11-24)9-17(8-15)12-24/h1-4,14-17H,5-12H2,(H,26,29)(H,27,30,31)
InChIKeyQRBRKZSTQWYOCC-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.90
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide

N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 176780636) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID176780636
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
SMILESN#Cc1cn(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H26N4O3/c25-13-18-14-28(23(31)27-22(18)30)6-5-21(29)26-20-3-1-19(2-4-20)24-10-15-7-16(11-24)9-17(8-15)12-24/h1-4,14-17H,5-12H2,(H,26,29)(H,27,30,31)
InChIKeyQRBRKZSTQWYOCC-UHFFFAOYSA-N
XLogP2.90
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3-[4-(1-adamantyl)anilino]-3-oxopropyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-N-[4-(1-adamantyl)phenyl]propanamide
CID 176780614
N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide
CID 176780615
N-[4-(1-adamantyl)phenyl]-3-(2-amino-6-oxo-1H-purin-9-yl)propanamide
CID 176780617
3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
CID 79874209
N-[2-(5-cyano-2,4-dioxopyrimidin-1-yl)ethyl]-3,3,5-trimethylcyclohexane-1-carboxamide
CID 126831325
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(1-adamantyl)phenyl]acetamide
CID 7984900
N-[4-(1-adamantyl)phenyl]-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 126739252
[2-[4-(1-adamantyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrol-1-yl)benzoate
CID 126225047
N-[4-(1-adamantyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46560924
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
CID 135893565
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide (CID 176780636) is N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide is N#Cc1cn(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is QRBRKZSTQWYOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c25-13-18-14-28(23(31)27-22(18)30)6-5-21(29)26-20-3-1-19(2-4-20)24-10-15-7-16(11-24)9-17(8-15)12-24/h1-4,14-17H,5-12H2,(H,26,29)(H,27,30,31).
What are the key properties of N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide?
N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 418.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 176780636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).