N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

C22H27Cl2N3O2 — CID 55351270

IUPACN-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H27Cl2N3O2/c1-14(21(29)25-16-11-9-15(10-12-16)22(2,3)4)27(5)13-19(28)26-20-17(23)7-6-8-18(20)24/h6-12,14H,13H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyMAMBWNMZJDSMNH-UHFFFAOYSA-N
MW436.38 g/mol
LogP5.19
Rot. Bonds6

About N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide

N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 55351270) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID55351270
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.38 g/mol
Exact Mass435.15
IUPAC NameN-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C22H27Cl2N3O2/c1-14(21(29)25-16-11-9-15(10-12-16)22(2,3)4)27(5)13-19(28)26-20-17(23)7-6-8-18(20)24/h6-12,14H,13H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyMAMBWNMZJDSMNH-UHFFFAOYSA-N
XLogP5.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.38
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 4824924
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46801955
N-(2-bromo-4-methylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46562604
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
CID 46561691
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide (CID 55351270) is N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is CC(C(=O)Nc1ccc(C(C)(C)C)cc1)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is MAMBWNMZJDSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O2/c1-14(21(29)25-16-11-9-15(10-12-16)22(2,3)4)27(5)13-19(28)26-20-17(23)7-6-8-18(20)24/h6-12,14H,13H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide?
N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 436.38 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 55351270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).