2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide

C18H21BrN2O3 — CID 9001033

IUPAC2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN[C@H](C)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H21BrN2O3/c1-12(13-7-8-17(24-3)16(19)9-13)20-11-18(22)21-14-5-4-6-15(10-14)23-2/h4-10,12,20H,11H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyAEMMJFXODREALW-GFCCVEGCSA-N
MW393.28 g/mol
LogP3.76
Rot. Bonds7

About 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide

2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9001033) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
PubChem CID9001033
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN[C@H](C)c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H21BrN2O3/c1-12(13-7-8-17(24-3)16(19)9-13)20-11-18(22)21-14-5-4-6-15(10-14)23-2/h4-10,12,20H,11H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyAEMMJFXODREALW-GFCCVEGCSA-N
XLogP3.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 112797144
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 9001008
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(3,5-dimethylphenyl)acetamide
CID 112797123
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-bromophenyl)acetamide
CID 112797136
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112805286
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9001281
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 43230853
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(2-phenylphenyl)acetamide
CID 112797150
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468312
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 84897745

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide (CID 9001033) is 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN[C@H](C)c2ccc(OC)c(Br)c2)c1.
What is the InChIKey of 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is AEMMJFXODREALW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-12(13-7-8-17(24-3)16(19)9-13)20-11-18(22)21-14-5-4-6-15(10-14)23-2/h4-10,12,20H,11H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide?
2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9001033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).