2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C20H25N3O2 — CID 27743019

IUPAC2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NCC(=O)NC(C)C)c1C
InChIInChI=1S/C20H25N3O2/c1-13(2)22-19(24)12-21-20(25)16-9-5-6-10-18(16)23-17-11-7-8-14(3)15(17)4/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeySOWKTLORGDQGEG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds6

About 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 27743019) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID27743019
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)NCC(=O)NC(C)C)c1C
InChIInChI=1S/C20H25N3O2/c1-13(2)22-19(24)12-21-20(25)16-9-5-6-10-18(16)23-17-11-7-8-14(3)15(17)4/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24)
InChIKeySOWKTLORGDQGEG-UHFFFAOYSA-N
XLogP3.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929
2-(2,3-dimethylanilino)-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 39964889
2-(2,3-dimethylanilino)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]benzamide
CID 60517557
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
2-(2,3-dimethylanilino)-N-[2-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethyl]benzamide
CID 89000800
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
CID 10739949
CID 10739949
deuterio 2-(2,3-dimethylanilino)benzoate
CID 175757896

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 27743019) is 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is Cc1cccc(Nc2ccccc2C(=O)NCC(=O)NC(C)C)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is SOWKTLORGDQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)22-19(24)12-21-20(25)16-9-5-6-10-18(16)23-17-11-7-8-14(3)15(17)4/h5-11,13,23H,12H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 27743019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).