N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide

C20H25BrN2O3 — CID 24506925

IUPACN-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)Nc2ccc(C)cc2Br)c1OC
InChIInChI=1S/C20H25BrN2O3/c1-13-9-10-17(16(21)11-13)22-20(24)14(2)23(3)12-15-7-6-8-18(25-4)19(15)26-5/h6-11,14H,12H2,1-5H3,(H,22,24)
InChIKeyQVLXNDLBUHRXEJ-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.23
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide

N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 24506925) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
PubChem CID24506925
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)Nc2ccc(C)cc2Br)c1OC
InChIInChI=1S/C20H25BrN2O3/c1-13-9-10-17(16(21)11-13)22-20(24)14(2)23(3)12-15-7-6-8-18(25-4)19(15)26-5/h6-11,14H,12H2,1-5H3,(H,22,24)
InChIKeyQVLXNDLBUHRXEJ-UHFFFAOYSA-N
XLogP4.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 46630581
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9169420
(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836
(2R)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045840
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 18094027
N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24507143
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 27239909
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46562604
(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
CID 8805401

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide (CID 24506925) is N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide is COc1cccc(CN(C)C(C)C(=O)Nc2ccc(C)cc2Br)c1OC.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is QVLXNDLBUHRXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-13-9-10-17(16(21)11-13)22-20(24)14(2)23(3)12-15-7-6-8-18(25-4)19(15)26-5/h6-11,14H,12H2,1-5H3,(H,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide?
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 421.34 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 24506925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).