N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide

C20H23BrN2O3 — CID 29416457

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-23(14-16-13-17(21)8-9-18(16)26-2)20(25)10-11-22-19(24)12-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,22,24)
InChIKeyIJOVTFWBIIVLGN-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.17
Rot. Bonds8

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 29416457) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
PubChem CID29416457
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-23(14-16-13-17(21)8-9-18(16)26-2)20(25)10-11-22-19(24)12-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,22,24)
InChIKeyIJOVTFWBIIVLGN-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]carbamate
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3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
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N-[4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]thiophene-2-carboxamide
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CID 111282119
(3S)-3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide
CID 26006172
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide (CID 29416457) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide is COc1ccc(Br)cc1CN(C)C(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is IJOVTFWBIIVLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-23(14-16-13-17(21)8-9-18(16)26-2)20(25)10-11-22-19(24)12-15-6-4-3-5-7-15/h3-9,13H,10-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 419.32 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 29416457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).