N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide

C24H32BrN3O4 — CID 66543880

IUPACN-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(Br)c(CNc2ccc(NC(=O)C(C)C)cc2)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C24H32BrN3O4/c1-15(2)23(30)27-17-9-7-16(8-10-17)26-13-18-19(25)11-12-20(31-6)22(18)32-14-21(29)28-24(3,4)5/h7-12,15,26H,13-14H2,1-6H3,(H,27,30)(H,28,29)
InChIKeyWZDYJLPNCOESIH-UHFFFAOYSA-N
MW506.44 g/mol
LogP4.96
Rot. Bonds9

About N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide

N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide (PubChem CID 66543880) has the molecular formula C24H32BrN3O4 and a molecular weight of 506.44 g/mol. Its IUPAC name is N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
PubChem CID66543880
Molecular FormulaC24H32BrN3O4
Molecular Weight506.44 g/mol
Exact Mass505.16
IUPAC NameN-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
SMILESCOc1ccc(Br)c(CNc2ccc(NC(=O)C(C)C)cc2)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C24H32BrN3O4/c1-15(2)23(30)27-17-9-7-16(8-10-17)26-13-18-19(25)11-12-20(31-6)22(18)32-14-21(29)28-24(3,4)5/h7-12,15,26H,13-14H2,1-6H3,(H,27,30)(H,28,29)
InChIKeyWZDYJLPNCOESIH-UHFFFAOYSA-N
XLogP4.96
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.44
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide 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

2-[3-bromo-2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-tert-butylacetamide
CID 66536168
N-[3-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-3-methylbutanamide
CID 66544139
2-[3-bromo-2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]-N-tert-butylacetamide
CID 66536159
N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66525577
2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543803
2-[3-bromo-2-[(3,5-dichloro-4-hydroxyanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543478
2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-3-bromo-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543477
2-[3-bromo-6-methoxy-2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]phenoxy]-N-tert-butylacetamide
CID 66536262
N-[4-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544074
2-[4-(anilinomethyl)-5-bromo-2-methoxyphenoxy]-N-tert-butylacetamide
CID 66544717
N-tert-butyl-2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525569
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline
CID 66543424

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide (CID 66543880) is N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide is COc1ccc(Br)c(CNc2ccc(NC(=O)C(C)C)cc2)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
The InChIKey is WZDYJLPNCOESIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN3O4/c1-15(2)23(30)27-17-9-7-16(8-10-17)26-13-18-19(25)11-12-20(31-6)22(18)32-14-21(29)28-24(3,4)5/h7-12,15,26H,13-14H2,1-6H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide?
N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide has a molecular weight of 506.44 g/mol, XLogP of 4.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 66543880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).