N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide

C20H25N3O2 — CID 54813263

IUPACN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCc1cc(C)cc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)23-17-7-5-6-16(11-17)22-19(24)12-21-18-9-14(3)8-15(4)10-18/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyYGMUKJBUKPXWTH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.95
Rot. Bonds6

About N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54813263) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54813263
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCc1cc(C)cc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)20(25)23-17-7-5-6-16(11-17)22-19(24)12-21-18-9-14(3)8-15(4)10-18/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyYGMUKJBUKPXWTH-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-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide (CID 54813263) is N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide is Cc1cc(C)cc(NCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1.
What is the InChIKey of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is YGMUKJBUKPXWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)20(25)23-17-7-5-6-16(11-17)22-19(24)12-21-18-9-14(3)8-15(4)10-18/h5-11,13,21H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(3,5-dimethylanilino)acetyl]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-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54813263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).