2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide

C20H28N2O2 — CID 86911674

IUPAC2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCCc1ccc(C(NCC(=O)NC(C)c2ccco2)C(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-5-16-8-10-17(11-9-16)20(14(2)3)21-13-19(23)22-15(4)18-7-6-12-24-18/h6-12,14-15,20-21H,5,13H2,1-4H3,(H,22,23)
InChIKeyKDUSNNAAMIXUME-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.01
Rot. Bonds8

About 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide

2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 86911674) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID86911674
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCCc1ccc(C(NCC(=O)NC(C)c2ccco2)C(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-5-16-8-10-17(11-9-16)20(14(2)3)21-13-19(23)22-15(4)18-7-6-12-24-18/h6-12,14-15,20-21H,5,13H2,1-4H3,(H,22,23)
InChIKeyKDUSNNAAMIXUME-UHFFFAOYSA-N
XLogP4.01
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
N-[[(2S)-butan-2-yl]carbamoyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992506
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
N-[1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 78810785
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8992499
N-(2,4-difluorophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991959
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,2-diphenylacetamide
CID 7671231
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide (CID 86911674) is 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide is CCc1ccc(C(NCC(=O)NC(C)c2ccco2)C(C)C)cc1.
What is the InChIKey of 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is KDUSNNAAMIXUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-16-8-10-17(11-9-16)20(14(2)3)21-13-19(23)22-15(4)18-7-6-12-24-18/h6-12,14-15,20-21H,5,13H2,1-4H3,(H,22,23).
What are the key properties of 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 86911674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).