3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide

C22H30N2O2 — CID 109037212

IUPAC3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NCCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C22H30N2O2/c1-15(2)18-10-8-9-17(5)22(18)23-14-13-21(25)24-19-11-6-7-12-20(19)26-16(3)4/h6-12,15-16,23H,13-14H2,1-5H3,(H,24,25)
InChIKeyGEHQVDMOELJGFI-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.35
Rot. Bonds8

About 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109037212) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109037212
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NCCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C22H30N2O2/c1-15(2)18-10-8-9-17(5)22(18)23-14-13-21(25)24-19-11-6-7-12-20(19)26-16(3)4/h6-12,15-16,23H,13-14H2,1-5H3,(H,24,25)
InChIKeyGEHQVDMOELJGFI-UHFFFAOYSA-N
XLogP5.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036659
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
methyl 2-[[3-(2-methyl-6-propan-2-ylanilino)-3-oxopropyl]amino]benzoate
CID 109037172
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
2-(2-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008141
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
3-(2-ethyl-6-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 109036653
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
CID 16962812
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109037212) is 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is Cc1cccc(C(C)C)c1NCCC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is GEHQVDMOELJGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15(2)18-10-8-9-17(5)22(18)23-14-13-21(25)24-19-11-6-7-12-20(19)26-16(3)4/h6-12,15-16,23H,13-14H2,1-5H3,(H,24,25).
What are the key properties of 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 354.49 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109037212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).