N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide

C16H25N3O2 — CID 51242343

IUPACN-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
SMILESCc1cccc(NC(C)C(=O)NC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C16H25N3O2/c1-10-8-7-9-13(11(10)2)17-12(3)14(20)18-15(21)19-16(4,5)6/h7-9,12,17H,1-6H3,(H2,18,19,20,21)
InChIKeyZITVXUGQJHOZQO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide

N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide (PubChem CID 51242343) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
PubChem CID51242343
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide
SMILESCc1cccc(NC(C)C(=O)NC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C16H25N3O2/c1-10-8-7-9-13(11(10)2)17-12(3)14(20)18-15(21)19-16(4,5)6/h7-9,12,17H,1-6H3,(H2,18,19,20,21)
InChIKeyZITVXUGQJHOZQO-UHFFFAOYSA-N
XLogP2.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanamide
CID 51248619
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
N-(tert-butylcarbamoyl)-2-(3,4-dimethylanilino)propanamide
CID 51242354
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
(2S)-2-(2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 30335335
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 51338271

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide (CID 51242343) is N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide is Cc1cccc(NC(C)C(=O)NC(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide?
The InChIKey is ZITVXUGQJHOZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-8-7-9-13(11(10)2)17-12(3)14(20)18-15(21)19-16(4,5)6/h7-9,12,17H,1-6H3,(H2,18,19,20,21).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide?
N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2,3-dimethylanilino)propanamide is sourced from PubChem (CID 51242343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).