N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide

C21H28N2O3 — CID 45001670

IUPACN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCCOc1ccc(C(CNC(=O)COc2ccc(C)cc2)N(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-5-25-18-12-8-17(9-13-18)20(23(3)4)14-22-21(24)15-26-19-10-6-16(2)7-11-19/h6-13,20H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyKOHLCMZWUDAIET-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.19
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 45001670) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID45001670
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCCOc1ccc(C(CNC(=O)COc2ccc(C)cc2)N(C)C)cc1
InChIInChI=1S/C21H28N2O3/c1-5-25-18-12-8-17(9-13-18)20(23(3)4)14-22-21(24)15-26-19-10-6-16(2)7-11-19/h6-13,20H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyKOHLCMZWUDAIET-UHFFFAOYSA-N
XLogP3.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 112503851
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 45155077
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 2111801
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide (CID 45001670) is N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide is CCOc1ccc(C(CNC(=O)COc2ccc(C)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is KOHLCMZWUDAIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-25-18-12-8-17(9-13-18)20(23(3)4)14-22-21(24)15-26-19-10-6-16(2)7-11-19/h6-13,20H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 45001670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).