N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide

C22H23N3O2 — CID 11848309

IUPACN-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1
InChIInChI=1S/C22H23N3O2/c1-13(2)27-22-19-9-6-15(10-17(19)12-23-25-22)20-11-16(5-4-14(20)3)21(26)24-18-7-8-18/h4-6,9-13,18H,7-8H2,1-3H3,(H,24,26)
InChIKeyPRMZAUJLQXIACS-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.28
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide

N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide (PubChem CID 11848309) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide
PubChem CID11848309
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1
InChIInChI=1S/C22H23N3O2/c1-13(2)27-22-19-9-6-15(10-17(19)12-23-25-22)20-11-16(5-4-14(20)3)21(26)24-18-7-8-18/h4-6,9-13,18H,7-8H2,1-3H3,(H,24,26)
InChIKeyPRMZAUJLQXIACS-UHFFFAOYSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopropyl-4-methyl-3-(1-((R)-2,2,2-trifluoro-1-methylethoxy)-6-phthalazinyl)benzamide
CID 24854902
N-Cyclopropyl-4-methyl-3-(1-((S)-2,2,2-trifluoro-1-methylethoxy)-6-phthalazinyl)benzamide
CID 24854903
N-Cyclopropyl-4-methyl-3-(4-(1-methylethoxy)-7-isoquinolinyl)benzamide
CID 25130181
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
CID 6401687
N-cyclopropyl-4-methyl-3-[1-(1,1,1-trifluoropropan-2-yloxy)phthalazin-6-yl]benzamide
CID 24855645
sodium 4-methyl-3-[1-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzoate
CID 135055600
Naphthalen-1-yl(4-(pyridazin-3-yloxy)piperidin-1-yl)methanone
CID 71799353
N-cyclopropyl-3-[1-(3-fluoro-2-methoxyphenyl)phthalazin-6-yl]-4-methylbenzamide
CID 11848505
N-tert-butyl-4-methyl-3-[1-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide
CID 24854838
4-methyl-3-[1-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide
CID 24854839
4-methyl-3-[1-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphthalazin-6-yl]benzamide
CID 24854840

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide (CID 11848309) is N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
The InChIKey is PRMZAUJLQXIACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13(2)27-22-19-9-6-15(10-17(19)12-23-25-22)20-11-16(5-4-14(20)3)21(26)24-18-7-8-18/h4-6,9-13,18H,7-8H2,1-3H3,(H,24,26).
What are the key properties of N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide?
N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(1-propan-2-yloxyphthalazin-6-yl)benzamide is sourced from PubChem (CID 11848309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).