N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide

C43H43ClN6O4 — CID 21363515

IUPACN-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide
SMILESCOc1ccc(C(Nc2nc(Cl)nc(NC(C)c3ccccc3)n2)c2ccc(OCC(=O)NC(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(OC)c1
InChIInChI=1S/C43H43ClN6O4/c1-27-11-15-31(16-12-27)39(32-17-13-28(2)14-18-32)46-38(51)26-54-34-21-19-33(20-22-34)40(36-24-23-35(52-4)25-37(36)53-5)47-43-49-41(44)48-42(50-43)45-29(3)30-9-7-6-8-10-30/h6-25,29,39-40H,26H2,1-5H3,(H,46,51)(H2,45,47,48,49,50)
InChIKeyCASDUEGWJBQMHP-UHFFFAOYSA-N
MW743.31 g/mol
LogP8.82
Rot. Bonds15

About N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide

N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide (PubChem CID 21363515) has the molecular formula C43H43ClN6O4 and a molecular weight of 743.31 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide
PubChem CID21363515
Molecular FormulaC43H43ClN6O4
Molecular Weight743.31 g/mol
Exact Mass742.30
IUPAC NameN-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide
SMILESCOc1ccc(C(Nc2nc(Cl)nc(NC(C)c3ccccc3)n2)c2ccc(OCC(=O)NC(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(OC)c1
InChIInChI=1S/C43H43ClN6O4/c1-27-11-15-31(16-12-27)39(32-17-13-28(2)14-18-32)46-38(51)26-54-34-21-19-33(20-22-34)40(36-24-23-35(52-4)25-37(36)53-5)47-43-49-41(44)48-42(50-43)45-29(3)30-9-7-6-8-10-30/h6-25,29,39-40H,26H2,1-5H3,(H,46,51)(H2,45,47,48,49,50)
InChIKeyCASDUEGWJBQMHP-UHFFFAOYSA-N
XLogP8.82
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.31
LogP ≤ 58.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide 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

N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-[[4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]phenoxy]acetamide
CID 59099924
N-[bis(4-methylphenyl)methyl]-2-[4-[(2,4-dimethoxyphenyl)-(methylamino)methyl]phenoxy]acetamide
CID 142609037
2-[4-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-(4-hydroxy-2-methoxyphenyl)methyl]phenoxy]-N-methylacetamide
CID 142072161
9H-fluoren-9-ylmethyl N-[(2S)-1-[[[4-[2-[bis(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]amino]-1-oxopropan-2-yl]carbamate
CID 51341211
N-[(4-methoxyphenyl)-phenylmethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 53338538
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 95180836
N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 18774569

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
The IUPAC name of N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide (CID 21363515) is N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
The canonical SMILES for N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide is COc1ccc(C(Nc2nc(Cl)nc(NC(C)c3ccccc3)n2)c2ccc(OCC(=O)NC(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(OC)c1.
What is the InChIKey of N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
The InChIKey is CASDUEGWJBQMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43ClN6O4/c1-27-11-15-31(16-12-27)39(32-17-13-28(2)14-18-32)46-38(51)26-54-34-21-19-33(20-22-34)40(36-24-23-35(52-4)25-37(36)53-5)47-43-49-41(44)48-42(50-43)45-29(3)30-9-7-6-8-10-30/h6-25,29,39-40H,26H2,1-5H3,(H,46,51)(H2,45,47,48,49,50).
What are the key properties of N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide?
N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide has a molecular weight of 743.31 g/mol, XLogP of 8.82, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methyl]-2-[4-[[[4-chloro-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]amino]-(2,4-dimethoxyphenyl)methyl]phenoxy]acetamide is sourced from PubChem (CID 21363515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).