2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

C20H25ClN2O3 — CID 8796131

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](CNC(=O)COc2ccc(Cl)cc2C)N(C)C)c1
InChIInChI=1S/C20H25ClN2O3/c1-14-10-16(21)8-9-19(14)26-13-20(24)22-12-18(23(2)3)15-6-5-7-17(11-15)25-4/h5-11,18H,12-13H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyBTISZQUHNYRCCJ-SFHVURJKSA-N
MW376.88 g/mol
LogP3.45
Rot. Bonds8

About 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 8796131) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID8796131
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](CNC(=O)COc2ccc(Cl)cc2C)N(C)C)c1
InChIInChI=1S/C20H25ClN2O3/c1-14-10-16(21)8-9-19(14)26-13-20(24)22-12-18(23(2)3)15-6-5-7-17(11-15)25-4/h5-11,18H,12-13H2,1-4H3,(H,22,24)/t18-/m0/s1
InChIKeyBTISZQUHNYRCCJ-SFHVURJKSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43019829
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 43019832
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
4-(4-chlorophenyl)sulfanyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 112764499

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (CID 8796131) is 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc([C@H](CNC(=O)COc2ccc(Cl)cc2C)N(C)C)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is BTISZQUHNYRCCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14-10-16(21)8-9-19(14)26-13-20(24)22-12-18(23(2)3)15-6-5-7-17(11-15)25-4/h5-11,18H,12-13H2,1-4H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 376.88 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 8796131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).