N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide

C15H18N2O2 — CID 115183042

IUPACN-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)NCc2coc3ccccc23)CC1
InChIInChI=1S/C15H18N2O2/c1-16-10-15(6-7-15)14(18)17-8-11-9-19-13-5-3-2-4-12(11)13/h2-5,9,16H,6-8,10H2,1H3,(H,17,18)
InChIKeyFVAJUFQGVQEBHV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide

N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 115183042) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
PubChem CID115183042
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)NCc2coc3ccccc23)CC1
InChIInChI=1S/C15H18N2O2/c1-16-10-15(6-7-15)14(18)17-8-11-9-19-13-5-3-2-4-12(11)13/h2-5,9,16H,6-8,10H2,1H3,(H,17,18)
InChIKeyFVAJUFQGVQEBHV-UHFFFAOYSA-N
XLogP2.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
CID 115763206
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 75377076
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
N-[(5-bromothiophen-2-yl)methyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183015
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
3-(1-benzofuran-3-ylmethylamino)benzoic acid
CID 80701632

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide (CID 115183042) is N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide is CNCC1(C(=O)NCc2coc3ccccc23)CC1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is FVAJUFQGVQEBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-10-15(6-7-15)14(18)17-8-11-9-19-13-5-3-2-4-12(11)13/h2-5,9,16H,6-8,10H2,1H3,(H,17,18).
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide?
N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115183042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).