N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide

C23H25N3O2 — CID 31784547

IUPACN-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2nn(C)c(=O)c3ccccc23)C2CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-15(2)17-10-8-16(9-11-17)14-26(18-12-13-18)23(28)21-19-6-4-5-7-20(19)22(27)25(3)24-21/h4-11,15,18H,12-14H2,1-3H3
InChIKeyUGUDPPHPIYHNIQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.86
Rot. Bonds5

About N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide

N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide (PubChem CID 31784547) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
PubChem CID31784547
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)c2nn(C)c(=O)c3ccccc23)C2CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-15(2)17-10-8-16(9-11-17)14-26(18-12-13-18)23(28)21-19-6-4-5-7-20(19)22(27)25(3)24-21/h4-11,15,18H,12-14H2,1-3H3
InChIKeyUGUDPPHPIYHNIQ-UHFFFAOYSA-N
XLogP3.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide (CID 31784547) is N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide is CC(C)c1ccc(CN(C(=O)c2nn(C)c(=O)c3ccccc23)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide?
The InChIKey is UGUDPPHPIYHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)17-10-8-16(9-11-17)14-26(18-12-13-18)23(28)21-19-6-4-5-7-20(19)22(27)25(3)24-21/h4-11,15,18H,12-14H2,1-3H3.
What are the key properties of N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide?
N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 31784547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).