2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide

C24H32Cl2N2O3 — CID 10479701

IUPAC2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide
SMILESCCN(CC)CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Cl)cc1Cl
InChIInChI=1S/C24H32Cl2N2O3/c1-6-28(7-2)12-13-30-21-11-9-18(15-20(21)26)27-23(29)16-31-22-10-8-17(14-19(22)25)24(3,4)5/h8-11,14-15H,6-7,12-13,16H2,1-5H3,(H,27,29)
InChIKeyZLQMSXRGKZMTGN-UHFFFAOYSA-N
MW467.44 g/mol
LogP6.03
Rot. Bonds10

About 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide

2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide (PubChem CID 10479701) has the molecular formula C24H32Cl2N2O3 and a molecular weight of 467.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide
PubChem CID10479701
Molecular FormulaC24H32Cl2N2O3
Molecular Weight467.44 g/mol
Exact Mass466.18
IUPAC Name2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide
SMILESCCN(CC)CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Cl)cc1Cl
InChIInChI=1S/C24H32Cl2N2O3/c1-6-28(7-2)12-13-30-21-11-9-18(15-20(21)26)27-23(29)16-31-22-10-8-17(14-19(22)25)24(3,4)5/h8-11,14-15H,6-7,12-13,16H2,1-5H3,(H,27,29)
InChIKeyZLQMSXRGKZMTGN-UHFFFAOYSA-N
XLogP6.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-amino-4-[2-(diethylamino)ethoxy]phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
CID 59691580
N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]-3-pyridin-2-ylpropanamide
CID 141088419
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-2-[2-chloro-4-(trifluoromethyl)phenoxy]acetamide
CID 10390905
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
tert-butyl N-[2-[2-chloro-4-[2-[2-[2-chloro-4-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]phenoxy]ethyl]-N-methylcarbamate
CID 151460594
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202547
ethyl 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-2-[2-(diethylamino)ethoxy]benzoate
CID 70967829
4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 7940143
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide?
The IUPAC name of 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide (CID 10479701) is 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide is CCN(CC)CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Cl)cc1Cl.
What is the InChIKey of 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide?
The InChIKey is ZLQMSXRGKZMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N2O3/c1-6-28(7-2)12-13-30-21-11-9-18(15-20(21)26)27-23(29)16-31-22-10-8-17(14-19(22)25)24(3,4)5/h8-11,14-15H,6-7,12-13,16H2,1-5H3,(H,27,29).
What are the key properties of 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide?
2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide has a molecular weight of 467.44 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-chlorophenoxy)-N-[3-chloro-4-[2-(diethylamino)ethoxy]phenyl]acetamide is sourced from PubChem (CID 10479701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).