N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide

C21H27ClN2O4 — CID 4885055

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c(OC)cc1Cl
InChIInChI=1S/C21H27ClN2O4/c1-21(2,3)13-7-8-17(26-4)16(9-13)24-20(25)12-23-15-11-18(27-5)14(22)10-19(15)28-6/h7-11,23H,12H2,1-6H3,(H,24,25)
InChIKeyBCZZLLSNQOCVPA-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.71
Rot. Bonds7

About N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide (PubChem CID 4885055) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
PubChem CID4885055
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
SMILESCOc1cc(NCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c(OC)cc1Cl
InChIInChI=1S/C21H27ClN2O4/c1-21(2,3)13-7-8-17(26-4)16(9-13)24-20(25)12-23-15-11-18(27-5)14(22)10-19(15)28-6/h7-11,23H,12H2,1-6H3,(H,24,25)
InChIKeyBCZZLLSNQOCVPA-UHFFFAOYSA-N
XLogP4.71
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-chlorobenzoate
CID 3394111
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
CID 109011243

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide (CID 4885055) is N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide is COc1cc(NCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c(OC)cc1Cl.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
The InChIKey is BCZZLLSNQOCVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-21(2,3)13-7-8-17(26-4)16(9-13)24-20(25)12-23-15-11-18(27-5)14(22)10-19(15)28-6/h7-11,23H,12H2,1-6H3,(H,24,25).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide has a molecular weight of 406.91 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 4885055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).