N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide

C19H23ClN2O2 — CID 112506773

IUPACN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC(c2cccc(Cl)c2)N(C)C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-7-9-17(10-8-14)24-13-19(23)21-12-18(22(2)3)15-5-4-6-16(20)11-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyLEOWPCBLUQDCSW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 112506773) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID112506773
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC(c2cccc(Cl)c2)N(C)C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-7-9-17(10-8-14)24-13-19(23)21-12-18(22(2)3)15-5-4-6-16(20)11-15/h4-11,18H,12-13H2,1-3H3,(H,21,23)
InChIKeyLEOWPCBLUQDCSW-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 41318293
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-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796131
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 30525493
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623936
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-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 2111801
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide (CID 112506773) is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC(c2cccc(Cl)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is LEOWPCBLUQDCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-7-9-17(10-8-14)24-13-19(23)21-12-18(22(2)3)15-5-4-6-16(20)11-15/h4-11,18H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 112506773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).