N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride

C12H19ClN2O — CID 18770587

IUPACN-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
SMILESCC(C)(C)C(N)NC(=O)c1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-12(2,3)11(13)14-10(15)9-7-5-4-6-8-9;/h4-8,11H,13H2,1-3H3,(H,14,15);1H
InChIKeyDDZZRIVLCXWRDA-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.17
Rot. Bonds2

About N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride

N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride (PubChem CID 18770587) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
PubChem CID18770587
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
SMILESCC(C)(C)C(N)NC(=O)c1ccccc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-12(2,3)11(13)14-10(15)9-7-5-4-6-8-9;/h4-8,11H,13H2,1-3H3,(H,14,15);1H
InChIKeyDDZZRIVLCXWRDA-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
CID 101120746
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
benzamido 2-amino-3,3-dimethylbutanoate
CID 57023501
methyl 3-amino-2-benzamido-3-methylbutanoate
CID 123291153
tert-butyl (2R)-2-benzamidopropanoate
CID 81004223
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008
N'-(2-amino-3-methylbutanoyl)benzohydrazide
CID 82116600
N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
CID 59051843

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride (CID 18770587) is N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride is CC(C)(C)C(N)NC(=O)c1ccccc1.Cl.
What is the InChIKey of N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride?
The InChIKey is DDZZRIVLCXWRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-12(2,3)11(13)14-10(15)9-7-5-4-6-8-9;/h4-8,11H,13H2,1-3H3,(H,14,15);1H.
What are the key properties of N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride?
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 18770587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).