2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide

C16H25N3O2 — CID 71998712

IUPAC2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
SMILESCc1cccc(C)c1NCC(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)8-17-14(20)9-18-15(21)10-19-16-12(3)6-5-7-13(16)4/h5-7,11,19H,8-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyLYJWSRQMZNTAFY-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.60
Rot. Bonds7

About 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide

2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide (PubChem CID 71998712) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
PubChem CID71998712
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
SMILESCc1cccc(C)c1NCC(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C16H25N3O2/c1-11(2)8-17-14(20)9-18-15(21)10-19-16-12(3)6-5-7-13(16)4/h5-7,11,19H,8-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyLYJWSRQMZNTAFY-UHFFFAOYSA-N
XLogP1.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-carbamothioyl-6-methylanilino)-N-(2-methylpropyl)acetamide
CID 107108536
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
CID 113404982
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
2-(2,6-dimethylanilino)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111565418
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide (CID 71998712) is 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide is Cc1cccc(C)c1NCC(=O)NCC(=O)NCC(C)C.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide?
The InChIKey is LYJWSRQMZNTAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)8-17-14(20)9-18-15(21)10-19-16-12(3)6-5-7-13(16)4/h5-7,11,19H,8-10H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide?
2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 71998712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).