N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

C20H25N3O2 — CID 54831626

IUPACN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)22-17-10-6-9-16(11-17)21-12-18(24)23-19-14(3)7-5-8-15(19)4/h5-11,13,21H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYJJHRNFTAJNRFX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.95
Rot. Bonds6

About N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54831626) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
PubChem CID54831626
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)22-17-10-6-9-16(11-17)21-12-18(24)23-19-14(3)7-5-8-15(19)4/h5-11,13,21H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYJJHRNFTAJNRFX-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877923
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833789
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (CID 54831626) is N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is Cc1cccc(C)c1NC(=O)CNc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is YJJHRNFTAJNRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)20(25)22-17-10-6-9-16(11-17)21-12-18(24)23-19-14(3)7-5-8-15(19)4/h5-11,13,21H,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54831626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).