3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride

C14H22ClN3O2 — CID 119691970

IUPAC3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,3)16-12(18)9-17(4)13(19)10-6-5-7-11(15)8-10;/h5-8H,9,15H2,1-4H3,(H,16,18);1H
InChIKeyCSQDRCWHQROEIY-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.68
Rot. Bonds3

About 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride (PubChem CID 119691970) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
PubChem CID119691970
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-14(2,3)16-12(18)9-17(4)13(19)10-6-5-7-11(15)8-10;/h5-8H,9,15H2,1-4H3,(H,16,18);1H
InChIKeyCSQDRCWHQROEIY-UHFFFAOYSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.68
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

N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
4-(3-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267729
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012
3-amino-N-methyl-N-propylbenzamide
CID 43270761
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 18170202
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
CID 60724448

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride (CID 119691970) is 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride is CN(CC(=O)NC(C)(C)C)C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride?
The InChIKey is CSQDRCWHQROEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-14(2,3)16-12(18)9-17(4)13(19)10-6-5-7-11(15)8-10;/h5-8H,9,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride?
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119691970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).