5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride

C15H24ClN3O2 — CID 120618559

IUPAC5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10-6-7-11(16)8-12(10)14(20)18(5)9-13(19)17-15(2,3)4;/h6-8H,9,16H2,1-5H3,(H,17,19);1H
InChIKeyRQCOWQMOUWNGEL-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride

5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride (PubChem CID 120618559) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
PubChem CID120618559
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10-6-7-11(16)8-12(10)14(20)18(5)9-13(19)17-15(2,3)4;/h6-8H,9,16H2,1-5H3,(H,17,19);1H
InChIKeyRQCOWQMOUWNGEL-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 120636434
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
CID 103882161
N-[2-(tert-butylamino)-2-oxoethyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 31550745
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 24660340

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride (CID 120618559) is 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(C)CC(=O)NC(C)(C)C.Cl.
What is the InChIKey of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is RQCOWQMOUWNGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-10-6-7-11(16)8-12(10)14(20)18(5)9-13(19)17-15(2,3)4;/h6-8H,9,16H2,1-5H3,(H,17,19);1H.
What are the key properties of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride?
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120618559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).