(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride

C10H15ClN2O — CID 70254304

IUPAC(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
SMILESCN[C@@H](C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-8(11-2)10(13)12-9-6-4-3-5-7-9;/h3-8,11H,1-2H3,(H,12,13);1H/t8-;/m0./s1
InChIKeyQJAXOSSBVGSIPQ-QRPNPIFTSA-N
MW214.70 g/mol
LogP1.65
Rot. Bonds3

About (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride

(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride (PubChem CID 70254304) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
PubChem CID70254304
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
SMILESCN[C@@H](C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-8(11-2)10(13)12-9-6-4-3-5-7-9;/h3-8,11H,1-2H3,(H,12,13);1H/t8-;/m0./s1
InChIKeyQJAXOSSBVGSIPQ-QRPNPIFTSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 41330853
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-(benzylamino)-N-phenylpropanamide
CID 4877973
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
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(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride (CID 70254304) is (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride is CN[C@@H](C)C(=O)Nc1ccccc1.Cl.
What is the InChIKey of (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride?
The InChIKey is QJAXOSSBVGSIPQ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-8(11-2)10(13)12-9-6-4-3-5-7-9;/h3-8,11H,1-2H3,(H,12,13);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride?
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 70254304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).