5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride

C16H23ClN2O — CID 120628690

IUPAC5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)C(C1CC1)C1CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-10-3-8-13(17)9-14(10)16(19)18(2)15(11-4-5-11)12-6-7-12;/h3,8-9,11-12,15H,4-7,17H2,1-2H3;1H
InChIKeyGNEGZBGZAYHMSM-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.26
Rot. Bonds4

About 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride

5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride (PubChem CID 120628690) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
PubChem CID120628690
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)C(C1CC1)C1CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-10-3-8-13(17)9-14(10)16(19)18(2)15(11-4-5-11)12-6-7-12;/h3,8-9,11-12,15H,4-7,17H2,1-2H3;1H
InChIKeyGNEGZBGZAYHMSM-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-[1-(4-methoxyphenyl)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120620042
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
CID 116651780
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120636360
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride (CID 120628690) is 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(C)C(C1CC1)C1CC1.Cl.
What is the InChIKey of 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is GNEGZBGZAYHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-10-3-8-13(17)9-14(10)16(19)18(2)15(11-4-5-11)12-6-7-12;/h3,8-9,11-12,15H,4-7,17H2,1-2H3;1H.
What are the key properties of 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride?
5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120628690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).