N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide

C21H26N2O2 — CID 17456120

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-8-9-18(17(4)12-14)10-11-19(24)22-13-20(25)23-21-15(2)6-5-7-16(21)3/h5-9,12H,10-11,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRHPARPLCSGOWOZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide (PubChem CID 17456120) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
PubChem CID17456120
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-8-9-18(17(4)12-14)10-11-19(24)22-13-20(25)23-21-15(2)6-5-7-16(21)3/h5-9,12H,10-11,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRHPARPLCSGOWOZ-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 24681693
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045922
3-(2,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 36939792
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815255
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7290832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide (CID 17456120) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is RHPARPLCSGOWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-8-9-18(17(4)12-14)10-11-19(24)22-13-20(25)23-21-15(2)6-5-7-16(21)3/h5-9,12H,10-11,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 17456120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).