3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C21H28N2O2 — CID 109040250

IUPAC3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-5-23(19-8-6-7-17(4)15-19)14-13-21(24)22-18-9-11-20(12-10-18)25-16(2)3/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyPGBWKXXLJRFHRV-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.64
Rot. Bonds8

About 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 109040250) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID109040250
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCN(CCC(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-5-23(19-8-6-7-17(4)15-19)14-13-21(24)22-18-9-11-20(12-10-18)25-16(2)3/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyPGBWKXXLJRFHRV-UHFFFAOYSA-N
XLogP4.64
TPSA41.57 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041935
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143643
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-(2-ethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109039794
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
4-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 9180922
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 109040250) is 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is CCN(CCC(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is PGBWKXXLJRFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-23(19-8-6-7-17(4)15-19)14-13-21(24)22-18-9-11-20(12-10-18)25-16(2)3/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,24).
What are the key properties of 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109040250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).