3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide

C16H22N2O2 — CID 115709140

IUPAC3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-16(19)8-9-17-12(3)15-10-13-6-4-5-7-14(13)20-15/h4-7,10-12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyOTNARHRNGLAXDR-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.00
Rot. Bonds6

About 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide

3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 115709140) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID115709140
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-16(19)8-9-17-12(3)15-10-13-6-4-5-7-14(13)20-15/h4-7,10-12,17H,8-9H2,1-3H3,(H,18,19)
InChIKeyOTNARHRNGLAXDR-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
2-[[N-[1-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119133303
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide (CID 115709140) is 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC(C)c1cc2ccccc2o1.
What is the InChIKey of 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is OTNARHRNGLAXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-16(19)8-9-17-12(3)15-10-13-6-4-5-7-14(13)20-15/h4-7,10-12,17H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide?
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115709140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).