N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

C21H23N5O2 — CID 51192443

IUPACN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-n3cncn3)cc2)c(C)c1
InChIInChI=1S/C21H23N5O2/c1-14-9-15(2)20(16(3)10-14)24-19(27)11-25(4)21(28)17-5-7-18(8-6-17)26-13-22-12-23-26/h5-10,12-13H,11H2,1-4H3,(H,24,27)
InChIKeyRWKDTRDNLWWFIS-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 51192443) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID51192443
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-n3cncn3)cc2)c(C)c1
InChIInChI=1S/C21H23N5O2/c1-14-9-15(2)20(16(3)10-14)24-19(27)11-25(4)21(28)17-5-7-18(8-6-17)26-13-22-12-23-26/h5-10,12-13H,11H2,1-4H3,(H,24,27)
InChIKeyRWKDTRDNLWWFIS-UHFFFAOYSA-N
XLogP2.90
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 18126088
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9490663
N-(2-chloro-4,6-dimethylphenyl)-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 27651283
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 78798770
4-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7478620
4-[4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenoxy]benzamide
CID 56546028
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
6-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27016019
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 9426110
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 51192443) is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-n3cncn3)cc2)c(C)c1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is RWKDTRDNLWWFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-9-15(2)20(16(3)10-14)24-19(27)11-25(4)21(28)17-5-7-18(8-6-17)26-13-22-12-23-26/h5-10,12-13H,11H2,1-4H3,(H,24,27).
What are the key properties of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 51192443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).