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

C19H23BrN2O3 — CID 8796210

IUPAC2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](CNC(=O)COc2ccc(Br)cc2)N(C)C)c1
InChIInChI=1S/C19H23BrN2O3/c1-22(2)18(14-5-4-6-17(11-14)24-3)12-21-19(23)13-25-16-9-7-15(20)8-10-16/h4-11,18H,12-13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyBMUQJDCOTPDJAO-SFHVURJKSA-N
MW407.31 g/mol
LogP3.26
Rot. Bonds8

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

2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 8796210) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID8796210
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC Name2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](CNC(=O)COc2ccc(Br)cc2)N(C)C)c1
InChIInChI=1S/C19H23BrN2O3/c1-22(2)18(14-5-4-6-17(11-14)24-3)12-21-19(23)13-25-16-9-7-15(20)8-10-16/h4-11,18H,12-13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyBMUQJDCOTPDJAO-SFHVURJKSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43019829
2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796131
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 43019832
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (CID 8796210) is 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc([C@H](CNC(=O)COc2ccc(Br)cc2)N(C)C)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is BMUQJDCOTPDJAO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c1-22(2)18(14-5-4-6-17(11-14)24-3)12-21-19(23)13-25-16-9-7-15(20)8-10-16/h4-11,18H,12-13H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 407.31 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 8796210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).