2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

C19H23BrN2O2 — CID 87013076

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CN(C)Cc2ccccc2Br)c1
InChIInChI=1S/C19H23BrN2O2/c1-22(12-17-8-3-4-9-18(17)20)13-19(23)21-11-15-6-5-7-16(10-15)14-24-2/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyUETSAPJJOJZGOV-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.34
Rot. Bonds8

About 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 87013076) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID87013076
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CN(C)Cc2ccccc2Br)c1
InChIInChI=1S/C19H23BrN2O2/c1-22(12-17-8-3-4-9-18(17)20)13-19(23)21-11-15-6-5-7-16(10-15)14-24-2/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyUETSAPJJOJZGOV-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 87013075
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
2-[benzyl(methyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55824699
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565669
N-[(2-bromophenyl)methyl]-2-(dimethylamino)acetamide
CID 110479783
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
2-[[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 87016166
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (CID 87013076) is 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is COCc1cccc(CNC(=O)CN(C)Cc2ccccc2Br)c1.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is UETSAPJJOJZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-22(12-17-8-3-4-9-18(17)20)13-19(23)21-11-15-6-5-7-16(10-15)14-24-2/h3-10H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 391.31 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87013076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).