2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide

C21H27BrN2O2 — CID 112811711

IUPAC2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C(C)NC(C)C(=O)N(C)Cc2ccccc2C)cc1Br
InChIInChI=1S/C21H27BrN2O2/c1-14-8-6-7-9-18(14)13-24(4)21(25)16(3)23-15(2)17-10-11-20(26-5)19(22)12-17/h6-12,15-16,23H,13H2,1-5H3
InChIKeyPYZZYORZMFLWNR-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.46
Rot. Bonds7

About 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide

2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 112811711) has the molecular formula C21H27BrN2O2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID112811711
Molecular FormulaC21H27BrN2O2
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC Name2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(C(C)NC(C)C(=O)N(C)Cc2ccccc2C)cc1Br
InChIInChI=1S/C21H27BrN2O2/c1-14-8-6-7-9-18(14)13-24(4)21(25)16(3)23-15(2)17-10-11-20(26-5)19(22)12-17/h6-12,15-16,23H,13H2,1-5H3
InChIKeyPYZZYORZMFLWNR-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 9001696
methyl N-[(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanoyl]carbamate
CID 9001749
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-tert-butylpropanamide
CID 115574026
N-methyl-N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811633
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 84884812
1-(4-acetylpiperazin-1-yl)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]propan-1-one
CID 86919742
(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9001411
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9001281
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 9001761
(2R)-N-(3-acetylphenyl)-2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanamide
CID 9001274
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 43734064

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 112811711) is 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is COc1ccc(C(C)NC(C)C(=O)N(C)Cc2ccccc2C)cc1Br.
What is the InChIKey of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is PYZZYORZMFLWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O2/c1-14-8-6-7-9-18(14)13-24(4)21(25)16(3)23-15(2)17-10-11-20(26-5)19(22)12-17/h6-12,15-16,23H,13H2,1-5H3.
What are the key properties of 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 419.36 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 112811711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).