N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide

C23H25N3O2 — CID 11291808

IUPACN-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H25N3O2/c1-16(22(27)24-18-12-6-3-7-13-18)26-23(28)20-15-9-8-14-19(20)21(25-26)17-10-4-2-5-11-17/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3,(H,24,27)
InChIKeyVDWMBZZYHYIYBC-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.07
Rot. Bonds4

About N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide

N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide (PubChem CID 11291808) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
PubChem CID11291808
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H25N3O2/c1-16(22(27)24-18-12-6-3-7-13-18)26-23(28)20-15-9-8-14-19(20)21(25-26)17-10-4-2-5-11-17/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3,(H,24,27)
InChIKeyVDWMBZZYHYIYBC-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate
CID 2627397
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CID 22509795
3-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539250
(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 129422166
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CID 108790626
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
(2S)-N-(4-fluorophenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)propanamide
CID 28622973
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
N-cyclohexyl-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]propanamide
CID 4664818
3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
CID 101258247
N-cyclopentyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076614
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide (CID 11291808) is N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide is CC(C(=O)NC1CCCCC1)n1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
The InChIKey is VDWMBZZYHYIYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(22(27)24-18-12-6-3-7-13-18)26-23(28)20-15-9-8-14-19(20)21(25-26)17-10-4-2-5-11-17/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3,(H,24,27).
What are the key properties of N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide?
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide is sourced from PubChem (CID 11291808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).