N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide

C22H28BrN3O4 — CID 24506793

IUPACN-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2cccc(Br)c2)cc1OCC
InChIInChI=1S/C22H28BrN3O4/c1-5-29-19-11-10-18(13-20(19)30-6-2)24-21(27)14-26(4)15(3)22(28)25-17-9-7-8-16(23)12-17/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyHZXZBPLANZYZKX-UHFFFAOYSA-N
MW478.39 g/mol
LogP4.14
Rot. Bonds10

About N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide

N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 24506793) has the molecular formula C22H28BrN3O4 and a molecular weight of 478.39 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID24506793
Molecular FormulaC22H28BrN3O4
Molecular Weight478.39 g/mol
Exact Mass477.13
IUPAC NameN-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2cccc(Br)c2)cc1OCC
InChIInChI=1S/C22H28BrN3O4/c1-5-29-19-11-10-18(13-20(19)30-6-2)24-21(27)14-26(4)15(3)22(28)25-17-9-7-8-16(23)12-17/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyHZXZBPLANZYZKX-UHFFFAOYSA-N
XLogP4.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]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-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658568
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
N-(2-cyanophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801790
(2R)-N-(3-bromophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 9494784
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933754
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
N-(3,4-diethoxyphenyl)-2-[[(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]acetamide
CID 11937853
N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 46801791
3-[[1-(3-bromoanilino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 122120144
(2S)-N-(3-bromophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461290

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 24506793) is N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide is CCOc1ccc(NC(=O)CN(C)C(C)C(=O)Nc2cccc(Br)c2)cc1OCC.
What is the InChIKey of N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is HZXZBPLANZYZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O4/c1-5-29-19-11-10-18(13-20(19)30-6-2)24-21(27)14-26(4)15(3)22(28)25-17-9-7-8-16(23)12-17/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide?
N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 478.39 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 24506793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).