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

C13H14N2O2 — CID 115189846

IUPAC1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2coc3ccccc23)CC1
InChIInChI=1S/C13H14N2O2/c14-13(5-6-13)12(16)15-7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyHWISPJPNZDEZOT-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.54
Rot. Bonds3

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

1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 115189846) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID115189846
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2coc3ccccc23)CC1
InChIInChI=1S/C13H14N2O2/c14-13(5-6-13)12(16)15-7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyHWISPJPNZDEZOT-UHFFFAOYSA-N
XLogP1.54
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183042
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
[1-(1-benzofuran-3-ylmethylamino)cyclopropyl]methanol
CID 115763206
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
(2S)-2-amino-3-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 121229043

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide (CID 115189846) is 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide is NC1(C(=O)NCc2coc3ccccc23)CC1.
What is the InChIKey of 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is HWISPJPNZDEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-13(5-6-13)12(16)15-7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8H,5-7,14H2,(H,15,16).
What are the key properties of 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide?
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115189846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).