N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide

C20H24N4O2 — CID 74621923

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-13-7-6-8-14(2)18(13)23-17(25)12-21-20(26)16-11-22-24-19(16)15-9-4-3-5-10-15/h3-10,16,19,22,24H,11-12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyZYGIDQXWWUKDDK-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide (PubChem CID 74621923) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
PubChem CID74621923
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-13-7-6-8-14(2)18(13)23-17(25)12-21-20(26)16-11-22-24-19(16)15-9-4-3-5-10-15/h3-10,16,19,22,24H,11-12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyZYGIDQXWWUKDDK-UHFFFAOYSA-N
XLogP1.82
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 134059626
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
CID 74648336
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-phenylpyrazolidine-4-carboxamide
CID 134027884
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
N-[2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 134068392
N-(2,6-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929985
2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylpyrrolidin-1-ium-1-yl]-N-methylacetamide
CID 155615690
2-(cyclopropylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide
CID 8790894
N-(2,6-dimethylphenyl)-2-(methylcarbamothioylamino)acetamide
CID 8790815
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide (CID 74621923) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)C1CNNC1c1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is ZYGIDQXWWUKDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-7-6-8-14(2)18(13)23-17(25)12-21-20(26)16-11-22-24-19(16)15-9-4-3-5-10-15/h3-10,16,19,22,24H,11-12H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 74621923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).