(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride

C16H21ClN2O2 — CID 68952302

IUPAC(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
SMILESCN(Cc1ccccc1)[C@@H](C(N)=O)c1ccccc1.Cl.O
InChIInChI=1S/C16H18N2O.ClH.H2O/c1-18(12-13-8-4-2-5-9-13)15(16(17)19)14-10-6-3-7-11-14;;/h2-11,15H,12H2,1H3,(H2,17,19);1H;1H2/t15-;;/m1../s1
InChIKeyPTLYJQGPQVRNBP-QCUBGVIVSA-N
MW308.81 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride

(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride (PubChem CID 68952302) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
PubChem CID68952302
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
SMILESCN(Cc1ccccc1)[C@@H](C(N)=O)c1ccccc1.Cl.O
InChIInChI=1S/C16H18N2O.ClH.H2O/c1-18(12-13-8-4-2-5-9-13)15(16(17)19)14-10-6-3-7-11-14;;/h2-11,15H,12H2,1H3,(H2,17,19);1H;1H2/t15-;;/m1../s1
InChIKeyPTLYJQGPQVRNBP-QCUBGVIVSA-N
XLogP1.94
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 46678627
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 51981788
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 18135887
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 24584549
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
(2R)-2-[benzyl(methyl)amino]-3-hydroxypropanamide
CID 14621674
(2S)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2-phenylacetamide
CID 37414985
2-[benzyl(methyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749344
2-[benzyl(methyl)amino]-1-(1-methylindol-3-yl)-2-phenylethanone
CID 174330316

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride?
The IUPAC name of (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride (CID 68952302) is (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride.
What is the SMILES notation for (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride?
The canonical SMILES for (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride is CN(Cc1ccccc1)[C@@H](C(N)=O)c1ccccc1.Cl.O.
What is the InChIKey of (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride?
The InChIKey is PTLYJQGPQVRNBP-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H18N2O.ClH.H2O/c1-18(12-13-8-4-2-5-9-13)15(16(17)19)14-10-6-3-7-11-14;;/h2-11,15H,12H2,1H3,(H2,17,19);1H;1H2/t15-;;/m1../s1.
What are the key properties of (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride?
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride is sourced from PubChem (CID 68952302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).