3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C20H26N2O2 — CID 109036370

IUPAC3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCc1ccc(NCCC(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-5-7-17(8-6-16)21-14-13-20(23)22-18-9-11-19(12-10-18)24-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyCPSPTMDPROYEMU-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.48
Rot. Bonds8

About 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 109036370) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID109036370
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCCc1ccc(NCCC(=O)Nc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-16-5-7-17(8-6-16)21-14-13-20(23)22-18-9-11-19(12-10-18)24-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyCPSPTMDPROYEMU-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
methyl 4-[[3-(4-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036302
N-[4-(difluoromethoxy)phenyl]-3-(4-ethylphenyl)propanamide
CID 9427794
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109031931

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 109036370) is 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is CCc1ccc(NCCC(=O)Nc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is CPSPTMDPROYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-16-5-7-17(8-6-16)21-14-13-20(23)22-18-9-11-19(12-10-18)24-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109036370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).