2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide

C20H22N4O2 — CID 50956198

IUPAC2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESCc1ccc(C(C(=O)NCc2n[nH]c(=O)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-13-8-10-14(11-9-13)18(24(2)3)20(26)21-12-17-15-6-4-5-7-16(15)19(25)23-22-17/h4-11,18H,12H2,1-3H3,(H,21,26)(H,23,25)
InChIKeySNLFPTZMLUGERI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.15
Rot. Bonds5

About 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide

2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (PubChem CID 50956198) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
PubChem CID50956198
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESCc1ccc(C(C(=O)NCc2n[nH]c(=O)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C20H22N4O2/c1-13-8-10-14(11-9-13)18(24(2)3)20(26)21-12-17-15-6-4-5-7-16(15)19(25)23-22-17/h4-11,18H,12H2,1-3H3,(H,21,26)(H,23,25)
InChIKeySNLFPTZMLUGERI-UHFFFAOYSA-N
XLogP2.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 95045989
2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
ethyl 2-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]acetate
CID 43996615
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
N'-(2,2-dimethoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 27440534
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 97126387
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (CID 50956198) is 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is Cc1ccc(C(C(=O)NCc2n[nH]c(=O)c3ccccc23)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The InChIKey is SNLFPTZMLUGERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-8-10-14(11-9-13)18(24(2)3)20(26)21-12-17-15-6-4-5-7-16(15)19(25)23-22-17/h4-11,18H,12H2,1-3H3,(H,21,26)(H,23,25).
What are the key properties of 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is sourced from PubChem (CID 50956198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).