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

C21H28N2O2 — CID 109036788

IUPAC3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNc1ccccc1C(C)C
InChIInChI=1S/C21H28N2O2/c1-15(2)17-9-5-6-10-18(17)22-14-13-21(24)23-19-11-7-8-12-20(19)25-16(3)4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyQTMGGKFYAYUHCE-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.04
Rot. Bonds8

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

3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109036788) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109036788
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNc1ccccc1C(C)C
InChIInChI=1S/C21H28N2O2/c1-15(2)17-9-5-6-10-18(17)22-14-13-21(24)23-19-11-7-8-12-20(19)25-16(3)4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24)
InChIKeyQTMGGKFYAYUHCE-UHFFFAOYSA-N
XLogP5.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109037212
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036659
3-(2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036753
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
N-pentyl-3-(2-propan-2-yloxyanilino)propanamide
CID 109032164
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
N-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109016279

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109036788) is 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCNc1ccccc1C(C)C.
What is the InChIKey of 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is QTMGGKFYAYUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15(2)17-9-5-6-10-18(17)22-14-13-21(24)23-19-11-7-8-12-20(19)25-16(3)4/h5-12,15-16,22H,13-14H2,1-4H3,(H,23,24).
What are the key properties of 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109036788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).