2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide

C14H16N2O2 — CID 80700757

IUPAC2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
SMILESO=C(CNCc1coc2ccccc12)NC1CC1
InChIInChI=1S/C14H16N2O2/c17-14(16-11-5-6-11)8-15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17)
InChIKeyKPFSLXJOTRWFTJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.80
Rot. Bonds5

About 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide

2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide (PubChem CID 80700757) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
PubChem CID80700757
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
SMILESO=C(CNCc1coc2ccccc12)NC1CC1
InChIInChI=1S/C14H16N2O2/c17-14(16-11-5-6-11)8-15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17)
InChIKeyKPFSLXJOTRWFTJ-UHFFFAOYSA-N
XLogP1.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
N-cyclopropyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43430495
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 112606428
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide?
The IUPAC name of 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide (CID 80700757) is 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide is O=C(CNCc1coc2ccccc12)NC1CC1.
What is the InChIKey of 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide?
The InChIKey is KPFSLXJOTRWFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(16-11-5-6-11)8-15-7-10-9-18-13-4-2-1-3-12(10)13/h1-4,9,11,15H,5-8H2,(H,16,17).
What are the key properties of 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide?
2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide has a molecular weight of 244.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide is sourced from PubChem (CID 80700757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).