2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide

C26H29N3O5 — CID 55437408

IUPAC2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CNc2cc(NC(C)=O)ccc2OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O5/c1-17(30)28-20-9-14-24(34-4)23(15-20)27-16-25(31)29-26(18-5-10-21(32-2)11-6-18)19-7-12-22(33-3)13-8-19/h5-15,26-27H,16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyOJLPMYUGTKYDIW-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.99
Rot. Bonds10

About 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide

2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide (PubChem CID 55437408) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
PubChem CID55437408
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CNc2cc(NC(C)=O)ccc2OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29N3O5/c1-17(30)28-20-9-14-24(34-4)23(15-20)27-16-25(31)29-26(18-5-10-21(32-2)11-6-18)19-7-12-22(33-3)13-8-19/h5-15,26-27H,16H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyOJLPMYUGTKYDIW-UHFFFAOYSA-N
XLogP3.99
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
N-(5-acetamido-2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8641820
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818470
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052
N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 55387354
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide (CID 55437408) is 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide is COc1ccc(C(NC(=O)CNc2cc(NC(C)=O)ccc2OC)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide?
The InChIKey is OJLPMYUGTKYDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-17(30)28-20-9-14-24(34-4)23(15-20)27-16-25(31)29-26(18-5-10-21(32-2)11-6-18)19-7-12-22(33-3)13-8-19/h5-15,26-27H,16H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide?
2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide has a molecular weight of 463.53 g/mol, XLogP of 3.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55437408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).