N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide

C21H25Cl2NO4 — CID 60607351

IUPACN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C21H25Cl2NO4/c1-21(2,14-6-7-15(22)16(23)11-14)12-24-19(25)10-13-8-17(26-3)20(28-5)18(9-13)27-4/h6-9,11H,10,12H2,1-5H3,(H,24,25)
InChIKeyNLILPVLDHHQTEE-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.66
Rot. Bonds8

About N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 60607351) has the molecular formula C21H25Cl2NO4 and a molecular weight of 426.34 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID60607351
Molecular FormulaC21H25Cl2NO4
Molecular Weight426.34 g/mol
Exact Mass425.12
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C21H25Cl2NO4/c1-21(2,14-6-7-15(22)16(23)11-14)12-24-19(25)10-13-8-17(26-3)20(28-5)18(9-13)27-4/h6-9,11H,10,12H2,1-5H3,(H,24,25)
InChIKeyNLILPVLDHHQTEE-UHFFFAOYSA-N
XLogP4.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229
tert-butyl N-[(2R)-1-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]carbamate
CID 52805538
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
N-[2-(3-bromo-4-methoxyphenyl)-2-methylpropyl]-2-hydroxyacetamide
CID 115140275
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42883568
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 60607351) is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is NLILPVLDHHQTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO4/c1-21(2,14-6-7-15(22)16(23)11-14)12-24-19(25)10-13-8-17(26-3)20(28-5)18(9-13)27-4/h6-9,11H,10,12H2,1-5H3,(H,24,25).
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 426.34 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 60607351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).