N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide

C25H28N2O3 — CID 2111801

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCN(C)[C@H](CNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-27(2)24(21-11-7-4-8-12-21)17-26-25(28)19-30-23-15-13-22(14-16-23)29-18-20-9-5-3-6-10-20/h3-16,24H,17-19H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyHQXPVMXSXNSMMW-XMMPIXPASA-N
MW404.51 g/mol
LogP4.06
Rot. Bonds10

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 2111801) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID2111801
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCN(C)[C@H](CNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-27(2)24(21-11-7-4-8-12-21)17-26-25(28)19-30-23-15-13-22(14-16-23)29-18-20-9-5-3-6-10-20/h3-16,24H,17-19H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyHQXPVMXSXNSMMW-XMMPIXPASA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-[(2R)-2-(ethylamino)propyl]-2-(4-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 120654572
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
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
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 41179929
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 16931216

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide (CID 2111801) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide is CN(C)[C@H](CNC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is HQXPVMXSXNSMMW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N2O3/c1-27(2)24(21-11-7-4-8-12-21)17-26-25(28)19-30-23-15-13-22(14-16-23)29-18-20-9-5-3-6-10-20/h3-16,24H,17-19H2,1-2H3,(H,26,28)/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 2111801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).