N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide

C21H22N4O3 — CID 8503577

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)c1C
InChIInChI=1S/C21H22N4O3/c1-13-8-7-11-17(14(13)2)22-18(26)12-24(3)21(28)19-15-9-5-6-10-16(15)20(27)25(4)23-19/h5-11H,12H2,1-4H3,(H,22,26)
InChIKeyHFGCWFGMHYVEOZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide (PubChem CID 8503577) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide
PubChem CID8503577
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)c1C
InChIInChI=1S/C21H22N4O3/c1-13-8-7-11-17(14(13)2)22-18(26)12-24(3)21(28)19-15-9-5-6-10-16(15)20(27)25(4)23-19/h5-11H,12H2,1-4H3,(H,22,26)
InChIKeyHFGCWFGMHYVEOZ-UHFFFAOYSA-N
XLogP2.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9437532
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37352007
3-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 18156568
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 9091901
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-ethyl-N-methyl-4-oxophthalazine-1-carboxamide
CID 26899002
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide (CID 8503577) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)c2nn(C)c(=O)c3ccccc23)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is HFGCWFGMHYVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-8-7-11-17(14(13)2)22-18(26)12-24(3)21(28)19-15-9-5-6-10-16(15)20(27)25(4)23-19/h5-11H,12H2,1-4H3,(H,22,26).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 8503577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).