N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C15H17NO3 — CID 115182419

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1coc2ccccc12)C1(CO)CC1
InChIInChI=1S/C15H17NO3/c17-10-15(6-7-15)14(18)16-8-5-11-9-19-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10H2,(H,16,18)
InChIKeyMEEJMYJACSDZBP-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 115182419) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID115182419
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1coc2ccccc12)C1(CO)CC1
InChIInChI=1S/C15H17NO3/c17-10-15(6-7-15)14(18)16-8-5-11-9-19-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10H2,(H,16,18)
InChIKeyMEEJMYJACSDZBP-UHFFFAOYSA-N
XLogP1.86
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377
N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183042
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
N-[2-(1-benzofuran-3-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186726
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463
[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
CID 115763206
N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184176
ethyl 2-[2-(1-benzofuran-3-yl)ethylamino]-2-oxoacetate
CID 115142072
N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159596

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 115182419) is N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is O=C(NCCc1coc2ccccc12)C1(CO)CC1.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is MEEJMYJACSDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-10-15(6-7-15)14(18)16-8-5-11-9-19-13-4-2-1-3-12(11)13/h1-4,9,17H,5-8,10H2,(H,16,18).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).