2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide

C23H29N3O2 — CID 53236845

IUPAC2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
SMILESCC(C)c1nn(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12
InChIInChI=1S/C23H29N3O2/c1-14(2)21-18-5-3-4-6-19(18)22(28)26(25-21)24-20(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17H,7-13H2,1-2H3,(H,24,27)
InChIKeyKDBIGUGYIIAYFQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.20
Rot. Bonds4

About 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide

2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide (PubChem CID 53236845) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
PubChem CID53236845
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
SMILESCC(C)c1nn(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12
InChIInChI=1S/C23H29N3O2/c1-14(2)21-18-5-3-4-6-19(18)22(28)26(25-21)24-20(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17H,7-13H2,1-2H3,(H,24,27)
InChIKeyKDBIGUGYIIAYFQ-UHFFFAOYSA-N
XLogP4.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]propanoic acid
CID 24895050
(2S)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]propanamide
CID 24895029
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
(2R)-2-[5-[[2-(1-adamantyl)acetyl]amino]-1-oxoisoquinolin-2-yl]-N-cyclopropylpropanamide
CID 24895047
2-(1-adamantyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide
CID 4775451
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
2-(1-adamantyl)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]acetohydrazide
CID 7742280
2-(1-adamantyl)-N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]acetamide
CID 25063414
2-(1-adamantyl)-N-[2-(furan-2-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 25063840
3-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 7984777
N-(1-adamantylmethyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 7921273
N-[(1S)-1-(1-adamantyl)ethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354426

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide (CID 53236845) is 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide is CC(C)c1nn(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12.
What is the InChIKey of 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
The InChIKey is KDBIGUGYIIAYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-14(2)21-18-5-3-4-6-19(18)22(28)26(25-21)24-20(27)13-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17H,7-13H2,1-2H3,(H,24,27).
What are the key properties of 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide?
2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide is sourced from PubChem (CID 53236845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).