N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

C24H27N3O3 — CID 40716364

IUPACN-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O3/c1-16(2)18-9-7-17(8-10-18)15-26(19-11-12-19)22(28)13-14-27-24(30)21-6-4-3-5-20(21)23(29)25-27/h3-10,16,19H,11-15H2,1-2H3,(H,25,29)
InChIKeyAAEWJHKFJOJCJC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.39
Rot. Bonds7

About N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide

N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 40716364) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID40716364
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C2CC2)cc1
InChIInChI=1S/C24H27N3O3/c1-16(2)18-9-7-17(8-10-18)15-26(19-11-12-19)22(28)13-14-27-24(30)21-6-4-3-5-20(21)23(29)25-27/h3-10,16,19H,11-15H2,1-2H3,(H,25,29)
InChIKeyAAEWJHKFJOJCJC-UHFFFAOYSA-N
XLogP3.39
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide
CID 24632559
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17452042
N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31784547
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442716
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide
CID 55380970
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
2-[butan-2-yl-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]amino]acetic acid
CID 119955260
N-cyclopropyl-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17484154
N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride
CID 119659171

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 40716364) is N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is AAEWJHKFJOJCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16(2)18-9-7-17(8-10-18)15-26(19-11-12-19)22(28)13-14-27-24(30)21-6-4-3-5-20(21)23(29)25-27/h3-10,16,19H,11-15H2,1-2H3,(H,25,29).
What are the key properties of N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide?
N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 40716364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).