3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide

C21H27BrN2O3 — CID 43067259

IUPAC3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(CNC(=O)CCc2ccc(OC)c(Br)c2)N(C)C)c1
InChIInChI=1S/C21H27BrN2O3/c1-24(2)19(16-6-5-7-17(13-16)26-3)14-23-21(25)11-9-15-8-10-20(27-4)18(22)12-15/h5-8,10,12-13,19H,9,11,14H2,1-4H3,(H,23,25)
InChIKeyCFDMMKDTUSBZQO-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.82
Rot. Bonds9

About 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide

3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 43067259) has the molecular formula C21H27BrN2O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID43067259
Molecular FormulaC21H27BrN2O3
Molecular Weight435.36 g/mol
Exact Mass434.12
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(C(CNC(=O)CCc2ccc(OC)c(Br)c2)N(C)C)c1
InChIInChI=1S/C21H27BrN2O3/c1-24(2)19(16-6-5-7-17(13-16)26-3)14-23-21(25)11-9-15-8-10-20(27-4)18(22)12-15/h5-8,10,12-13,19H,9,11,14H2,1-4H3,(H,23,25)
InChIKeyCFDMMKDTUSBZQO-UHFFFAOYSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 46578257
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43067247
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
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
2-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]butanoic acid
CID 65219208
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55470741

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide (CID 43067259) is 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(C(CNC(=O)CCc2ccc(OC)c(Br)c2)N(C)C)c1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is CFDMMKDTUSBZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3/c1-24(2)19(16-6-5-7-17(13-16)26-3)14-23-21(25)11-9-15-8-10-20(27-4)18(22)12-15/h5-8,10,12-13,19H,9,11,14H2,1-4H3,(H,23,25).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide?
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 435.36 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 43067259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).