N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride

C14H23ClN2O — CID 120507266

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)N[C@@H](C)CN)c(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10-4-5-13(11(2)8-10)6-7-14(17)16-12(3)9-15;/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17);1H/t12-;/m0./s1
InChIKeyNEPLDDUVBYPMIO-YDALLXLXSA-N
MW270.80 g/mol
LogP2.12
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride (PubChem CID 120507266) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
PubChem CID120507266
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)N[C@@H](C)CN)c(C)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-10-4-5-13(11(2)8-10)6-7-14(17)16-12(3)9-15;/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17);1H/t12-;/m0./s1
InChIKeyNEPLDDUVBYPMIO-YDALLXLXSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51329039
N'-[3-(2,4-dimethylphenyl)propanoyl]-3-methylbutanehydrazide
CID 37012024
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
CID 115187571
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119779210
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645511
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride (CID 120507266) is N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)N[C@@H](C)CN)c(C)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The InChIKey is NEPLDDUVBYPMIO-YDALLXLXSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-10-4-5-13(11(2)8-10)6-7-14(17)16-12(3)9-15;/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17);1H/t12-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.12, 5 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-(2,4-dimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120507266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).