(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride

C21H30ClN3O2 — CID 161285414

IUPAC(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride
SMILESCN(C)C(=O)[C@@H](N)c1ccccc1.C[C@H](C(=O)N(C)C)c1ccccc1.Cl
InChIInChI=1S/C11H15NO.C10H14N2O.ClH/c1-9(11(13)12(2)3)10-7-5-4-6-8-10;1-12(2)10(13)9(11)8-6-4-3-5-7-8;/h4-9H,1-3H3;3-7,9H,11H2,1-2H3;1H/t2*9-;/m00./s1
InChIKeyYBABFEOPIIDZCY-NAWJVIAPSA-N
MW391.94 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride

(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride (PubChem CID 161285414) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride
PubChem CID161285414
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride
SMILESCN(C)C(=O)[C@@H](N)c1ccccc1.C[C@H](C(=O)N(C)C)c1ccccc1.Cl
InChIInChI=1S/C11H15NO.C10H14N2O.ClH/c1-9(11(13)12(2)3)10-7-5-4-6-8-10;1-12(2)10(13)9(11)8-6-4-3-5-7-8;/h4-9H,1-3H3;3-7,9H,11H2,1-2H3;1H/t2*9-;/m00./s1
InChIKeyYBABFEOPIIDZCY-NAWJVIAPSA-N
XLogP3.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
2-(3-benzoylphenyl)-N,N-dimethylpropanamide
CID 3042316
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326
2-[methyl-[(2S)-2-phenylpropanoyl]amino]propanoic acid
CID 120686581
4-[1-(dimethylamino)-1-oxopropan-2-yl]benzoic acid;ethane
CID 143679976
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride (CID 161285414) is (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride is CN(C)C(=O)[C@@H](N)c1ccccc1.C[C@H](C(=O)N(C)C)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride?
The InChIKey is YBABFEOPIIDZCY-NAWJVIAPSA-N. The full InChI is InChI=1S/C11H15NO.C10H14N2O.ClH/c1-9(11(13)12(2)3)10-7-5-4-6-8-10;1-12(2)10(13)9(11)8-6-4-3-5-7-8;/h4-9H,1-3H3;3-7,9H,11H2,1-2H3;1H/t2*9-;/m00./s1.
What are the key properties of (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride?
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-dimethyl-2-phenylacetamide;(2S)-N,N-dimethyl-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 161285414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).