N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide

C19H24N2O2 — CID 41318293

IUPACN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H24N2O2/c1-15-9-11-16(12-10-15)18(21(2)3)13-20-19(22)14-23-17-7-5-4-6-8-17/h4-12,18H,13-14H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyNENYIWNUXIPTLE-GOSISDBHSA-N
MW312.41 g/mol
LogP2.79
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide (PubChem CID 41318293) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
PubChem CID41318293
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2ccccc2)N(C)C)cc1
InChIInChI=1S/C19H24N2O2/c1-15-9-11-16(12-10-15)18(21(2)3)13-20-19(22)14-23-17-7-5-4-6-8-17/h4-12,18H,13-14H2,1-3H3,(H,20,22)/t18-/m1/s1
InChIKeyNENYIWNUXIPTLE-GOSISDBHSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 45001670
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 2111801
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 45155077
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide (CID 41318293) is N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide is Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is NENYIWNUXIPTLE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-9-11-16(12-10-15)18(21(2)3)13-20-19(22)14-23-17-7-5-4-6-8-17/h4-12,18H,13-14H2,1-3H3,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide?
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 312.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 41318293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).