N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide

C24H27N5O3 — CID 176780615

IUPACN-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide
SMILESO=C(CCn1cnc2c(=O)[nH]c(=O)[nH]c21)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H27N5O3/c30-19(5-6-29-13-25-20-21(29)27-23(32)28-22(20)31)26-18-3-1-17(2-4-18)24-10-14-7-15(11-24)9-16(8-14)12-24/h1-4,13-16H,5-12H2,(H,26,30)(H2,27,28,31,32)
InChIKeyQSLVJPPOSZXURQ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.91
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide

N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide (PubChem CID 176780615) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide
PubChem CID176780615
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide
SMILESO=C(CCn1cnc2c(=O)[nH]c(=O)[nH]c21)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H27N5O3/c30-19(5-6-29-13-25-20-21(29)27-23(32)28-22(20)31)26-18-3-1-17(2-4-18)24-10-14-7-15(11-24)9-16(8-14)12-24/h1-4,13-16H,5-12H2,(H,26,30)(H2,27,28,31,32)
InChIKeyQSLVJPPOSZXURQ-UHFFFAOYSA-N
XLogP2.91
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-adamantyl)phenyl]-3-(2-amino-6-oxo-1H-purin-9-yl)propanamide
CID 176780617
N-[4-(1-adamantyl)phenyl]-3-(5-cyano-2,4-dioxopyrimidin-1-yl)propanamide
CID 176780636
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-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 126739252
2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4071679
N-[4-(1-adamantyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46560924
N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
CID 135893565
N-[4-(1-adamantyl)phenyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126739261
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(1-adamantyl)phenyl]acetamide
CID 7984900
4-[3-(2-amino-6-oxo-1H-purin-9-yl)propanoylamino]benzoic acid
CID 135515441
9-(3-methylbutyl)-3H-purine-2,6-dione
CID 57008768
N-[4-(1-adamantyl)phenyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46560966

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide (CID 176780615) is N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide is O=C(CCn1cnc2c(=O)[nH]c(=O)[nH]c21)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide?
The InChIKey is QSLVJPPOSZXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-19(5-6-29-13-25-20-21(29)27-23(32)28-22(20)31)26-18-3-1-17(2-4-18)24-10-14-7-15(11-24)9-16(8-14)12-24/h1-4,13-16H,5-12H2,(H,26,30)(H2,27,28,31,32).
What are the key properties of N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide?
N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-3-(2,6-dioxo-3H-purin-9-yl)propanamide is sourced from PubChem (CID 176780615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).