2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide

C16H22N2O2 — CID 115574812

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)9-18-16(19)10-17-12(3)15-8-13-6-4-5-7-14(13)20-15/h4-8,11-12,17H,9-10H2,1-3H3,(H,18,19)
InChIKeyBHCAGCSMNNFWEV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.86
Rot. Bonds6

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 115574812) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID115574812
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)9-18-16(19)10-17-12(3)15-8-13-6-4-5-7-14(13)20-15/h4-8,11-12,17H,9-10H2,1-3H3,(H,18,19)
InChIKeyBHCAGCSMNNFWEV-UHFFFAOYSA-N
XLogP2.86
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
2-(benzhydrylamino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8596608
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
CID 112801490
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 112801581
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-[[N-[1-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119133303
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide (CID 115574812) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(C)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is BHCAGCSMNNFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)9-18-16(19)10-17-12(3)15-8-13-6-4-5-7-14(13)20-15/h4-8,11-12,17H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115574812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).