3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide

C21H28N2O2 — CID 109036659

IUPAC3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCCc1cccc(C)c1NCCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C21H28N2O2/c1-5-17-10-8-9-16(4)21(17)22-14-13-20(24)23-18-11-6-7-12-19(18)25-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyRPLUHHOYDLHAIE-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.79
Rot. Bonds8

About 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109036659) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109036659
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCCc1cccc(C)c1NCCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C21H28N2O2/c1-5-17-10-8-9-16(4)21(17)22-14-13-20(24)23-18-11-6-7-12-19(18)25-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyRPLUHHOYDLHAIE-UHFFFAOYSA-N
XLogP4.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethyl-6-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 109036653
3-(2-methyl-6-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109037212
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
CID 109036681
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109039924
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109036659) is 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is CCc1cccc(C)c1NCCC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is RPLUHHOYDLHAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-17-10-8-9-16(4)21(17)22-14-13-20(24)23-18-11-6-7-12-19(18)25-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24).
What are the key properties of 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109036659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).