2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide

C15H23N3O2 — CID 47107205

IUPAC2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cc(C)cc(NCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-17-15(20)18-14(19)9-16-13-6-11(3)5-12(4)7-13/h5-7,10,16H,8-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyCVRJXZAPQYHSBJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.20
Rot. Bonds5

About 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide

2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 47107205) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID47107205
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cc(C)cc(NCC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-17-15(20)18-14(19)9-16-13-6-11(3)5-12(4)7-13/h5-7,10,16H,8-9H2,1-4H3,(H2,17,18,19,20)
InChIKeyCVRJXZAPQYHSBJ-UHFFFAOYSA-N
XLogP2.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107125
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-[3-(diethylsulfamoyl)anilino]-N-(2-methylpropylcarbamoyl)acetamide
CID 18096539
2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 86952077
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
N-(2-methylpropylcarbamoyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583270
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide (CID 47107205) is 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide is Cc1cc(C)cc(NCC(=O)NC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is CVRJXZAPQYHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)8-17-15(20)18-14(19)9-16-13-6-11(3)5-12(4)7-13/h5-7,10,16H,8-9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide?
2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 47107205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).