N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride

C12H19ClN2O — CID 120509165

IUPACN-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N[C@@H](C)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-8-4-9(2)6-11(5-8)12(15)14-10(3)7-13;/h4-6,10H,7,13H2,1-3H3,(H,14,15);1H/t10-;/m0./s1
InChIKeyJPFHOXDZTDWPOT-PPHPATTJSA-N
MW242.75 g/mol
LogP1.80
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride (PubChem CID 120509165) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
PubChem CID120509165
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N[C@@H](C)CN)c1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-8-4-9(2)6-11(5-8)12(15)14-10(3)7-13;/h4-6,10H,7,13H2,1-3H3,(H,14,15);1H/t10-;/m0./s1
InChIKeyJPFHOXDZTDWPOT-PPHPATTJSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromopropan-2-yl)-3,5-dimethylbenzamide
CID 114310754
N-[(2S)-1-aminopropan-2-yl]-3-bromo-4-methylbenzamide;hydrochloride
CID 120507815
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-fluorobenzamide;hydrochloride
CID 120507470
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
N-(1-aminopropan-2-yl)-4-methylfuran-2-carboxamide
CID 83617743
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-[(2R)-1-aminopropan-2-yl]pyrimidine-5-carboxamide
CID 102922368
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride (CID 120509165) is N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride is Cc1cc(C)cc(C(=O)N[C@@H](C)CN)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride?
The InChIKey is JPFHOXDZTDWPOT-PPHPATTJSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-8-4-9(2)6-11(5-8)12(15)14-10(3)7-13;/h4-6,10H,7,13H2,1-3H3,(H,14,15);1H/t10-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120509165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).