N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide

C24H21N3O3 — CID 55380970

IUPACN-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22(15-16-27-24(30)21-14-8-7-13-20(21)23(29)25-27)26(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,29)
InChIKeyMVSZDRBOXNZDEQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.31
Rot. Bonds6

About N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide

N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide (PubChem CID 55380970) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide
PubChem CID55380970
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22(15-16-27-24(30)21-14-8-7-13-20(21)23(29)25-27)26(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,29)
InChIKeyMVSZDRBOXNZDEQ-UHFFFAOYSA-N
XLogP3.31
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119198107
N-cyclopropyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 40716364
N-(2-cyanoethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethoxyphenyl)propanamide
CID 56534575
2-[butan-2-yl-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]amino]acetic acid
CID 119955260
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 18195079
N-[(4-bromophenyl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
CID 9416461
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide
CID 110703786
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide
CID 166223914
N-butyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)propanamide
CID 78855628
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methylpropanamide
CID 95132698

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide (CID 55380970) is N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide is O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide?
The InChIKey is MVSZDRBOXNZDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(15-16-27-24(30)21-14-8-7-13-20(21)23(29)25-27)26(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,25,29).
What are the key properties of N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide?
N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide has a molecular weight of 399.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 55380970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).