N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide

C24H33N3O2 — CID 55594846

IUPACN-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)N(C2CCC(C)CC2)C2CC2)c2ccccc2c1=O
InChIInChI=1S/C24H33N3O2/c1-3-4-7-16-26-23(28)21-9-6-5-8-20(21)22(25-26)24(29)27(19-14-15-19)18-12-10-17(2)11-13-18/h5-6,8-9,17-19H,3-4,7,10-16H2,1-2H3
InChIKeyLMYBLKRVYFOOBM-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.77
Rot. Bonds7

About N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide

N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide (PubChem CID 55594846) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide
PubChem CID55594846
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide
SMILESCCCCCn1nc(C(=O)N(C2CCC(C)CC2)C2CC2)c2ccccc2c1=O
InChIInChI=1S/C24H33N3O2/c1-3-4-7-16-26-23(28)21-9-6-5-8-20(21)22(25-26)24(29)27(19-14-15-19)18-12-10-17(2)11-13-18/h5-6,8-9,17-19H,3-4,7,10-16H2,1-2H3
InChIKeyLMYBLKRVYFOOBM-UHFFFAOYSA-N
XLogP4.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
N-butyl-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 78796231
N-ethyl-N-(2-ethylbutyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55689000
[2-(cyclooctylamino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55325185
N-(1-aminopropan-2-yl)-N-methyl-4-oxo-3-pentylphthalazine-1-carboxamide;hydrochloride
CID 119581362
N-(3-aminopropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 119404869
N-[3-(dimethylamino)-3-oxopropyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55737255
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 17420770
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-pentylphthalazin-1-one;hydrochloride
CID 120656192
4-oxo-3-pentyl-N-(pyrrolidin-2-ylmethyl)phthalazine-1-carboxamide;hydrochloride
CID 119509836
N-(1-adamantylmethyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 7921273
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide
CID 9441718

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide (CID 55594846) is N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide is CCCCCn1nc(C(=O)N(C2CCC(C)CC2)C2CC2)c2ccccc2c1=O.
What is the InChIKey of N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
The InChIKey is LMYBLKRVYFOOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-4-7-16-26-23(28)21-9-6-5-8-20(21)22(25-26)24(29)27(19-14-15-19)18-12-10-17(2)11-13-18/h5-6,8-9,17-19H,3-4,7,10-16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide?
N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide is sourced from PubChem (CID 55594846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).