N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide

C21H28N2O2 — CID 54823992

IUPACN-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-5-17-9-6-8-16(4)21(17)23-20(24)13-22-18-10-7-11-19(12-18)25-14-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyZZCRUYNZZPPZOP-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.64
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide (PubChem CID 54823992) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
PubChem CID54823992
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C21H28N2O2/c1-5-17-9-6-8-16(4)21(17)23-20(24)13-22-18-10-7-11-19(12-18)25-14-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24)
InChIKeyZZCRUYNZZPPZOP-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54810109
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522
3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833789
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
2-(2-ethyl-6-methylanilino)-N-(3-propoxyphenyl)acetamide
CID 54819274
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide (CID 54823992) is N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide is CCc1cccc(C)c1NC(=O)CNc1cccc(OCC(C)C)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
The InChIKey is ZZCRUYNZZPPZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-17-9-6-8-16(4)21(17)23-20(24)13-22-18-10-7-11-19(12-18)25-14-15(2)3/h6-12,15,22H,5,13-14H2,1-4H3,(H,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54823992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).