N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide

C23H25N3O2 — CID 17452042

IUPACN-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-15(2)17-9-7-16(8-10-17)14-26(18-11-12-18)22(27)13-21-19-5-3-4-6-20(19)23(28)25-24-21/h3-10,15,18H,11-14H2,1-2H3,(H,25,28)
InChIKeyRNUVSPGBSYNAHN-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.78
Rot. Bonds6

About N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide

N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 17452042) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID17452042
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(C)c1ccc(CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-15(2)17-9-7-16(8-10-17)14-26(18-11-12-18)22(27)13-21-19-5-3-4-6-20(19)23(28)25-24-21/h3-10,15,18H,11-14H2,1-2H3,(H,25,28)
InChIKeyRNUVSPGBSYNAHN-UHFFFAOYSA-N
XLogP3.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 17452042) is N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide is CC(C)c1ccc(CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is RNUVSPGBSYNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)17-9-7-16(8-10-17)14-26(18-11-12-18)22(27)13-21-19-5-3-4-6-20(19)23(28)25-24-21/h3-10,15,18H,11-14H2,1-2H3,(H,25,28).
What are the key properties of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 17452042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).