N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

C28H32N2O6 — CID 16546421

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3cc(C(C)(C)C)ccc3OC)cc2OC)cc1
InChIInChI=1S/C28H32N2O6/c1-28(2,3)19-8-14-23(34-5)22(16-19)30-27(32)18-7-13-24(25(15-18)35-6)36-17-26(31)29-20-9-11-21(33-4)12-10-20/h7-16H,17H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyAHOHPVLQSWDAHP-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.28
Rot. Bonds9

About N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 16546421) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID16546421
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3cc(C(C)(C)C)ccc3OC)cc2OC)cc1
InChIInChI=1S/C28H32N2O6/c1-28(2,3)19-8-14-23(34-5)22(16-19)30-27(32)18-7-13-24(25(15-18)35-6)36-17-26(31)29-20-9-11-21(33-4)12-10-20/h7-16H,17H2,1-6H3,(H,29,31)(H,30,32)
InChIKeyAHOHPVLQSWDAHP-UHFFFAOYSA-N
XLogP5.28
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16548736
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
N-(5-tert-butyl-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 16546420
N-(2,5-dimethoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55345310
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (CID 16546421) is N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccc(NC(=O)COc2ccc(C(=O)Nc3cc(C(C)(C)C)ccc3OC)cc2OC)cc1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is AHOHPVLQSWDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-28(2,3)19-8-14-23(34-5)22(16-19)30-27(32)18-7-13-24(25(15-18)35-6)36-17-26(31)29-20-9-11-21(33-4)12-10-20/h7-16H,17H2,1-6H3,(H,29,31)(H,30,32).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 492.57 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 16546421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).