N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

C15H18N2O2 — CID 114758782

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESNCCC1(CNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C15H18N2O2/c16-8-7-15(5-6-15)10-17-14(18)13-9-11-3-1-2-4-12(11)19-13/h1-4,9H,5-8,10,16H2,(H,17,18)
InChIKeyMTZNYJGEENFISN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.29
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 114758782) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID114758782
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
SMILESNCCC1(CNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C15H18N2O2/c16-8-7-15(5-6-15)10-17-14(18)13-9-11-3-1-2-4-12(11)19-13/h1-4,9H,5-8,10,16H2,(H,17,18)
InChIKeyMTZNYJGEENFISN-UHFFFAOYSA-N
XLogP2.29
TPSA68.26 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758419
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114755595
N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide
CID 131702310
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 136534123

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide (CID 114758782) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is NCCC1(CNC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MTZNYJGEENFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-8-7-15(5-6-15)10-17-14(18)13-9-11-3-1-2-4-12(11)19-13/h1-4,9H,5-8,10,16H2,(H,17,18).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114758782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).