3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide

C16H19NO2 — CID 100629753

IUPAC3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide
SMILESCCC[C@@H]1C[C@H]1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C16H19NO2/c1-3-6-11-9-13(11)17-16(18)15-10(2)12-7-4-5-8-14(12)19-15/h4-5,7-8,11,13H,3,6,9H2,1-2H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyWOZNEIYPNKWGEO-DGCLKSJQSA-N
MW257.33 g/mol
LogP3.66
Rot. Bonds4

About 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide

3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide (PubChem CID 100629753) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide
PubChem CID100629753
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide
SMILESCCC[C@@H]1C[C@H]1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C16H19NO2/c1-3-6-11-9-13(11)17-16(18)15-10(2)12-7-4-5-8-14(12)19-15/h4-5,7-8,11,13H,3,6,9H2,1-2H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyWOZNEIYPNKWGEO-DGCLKSJQSA-N
XLogP3.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
N-(2-propylcyclopropyl)-1H-indazole-3-carboxamide
CID 113246079
N-(2-propylcyclopropyl)-1H-indole-3-carboxamide
CID 113246085
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119668670
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 18558149
5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
CID 103812746
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide (CID 100629753) is 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide is CCC[C@@H]1C[C@H]1NC(=O)c1oc2ccccc2c1C.
What is the InChIKey of 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide?
The InChIKey is WOZNEIYPNKWGEO-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-6-11-9-13(11)17-16(18)15-10(2)12-7-4-5-8-14(12)19-15/h4-5,7-8,11,13H,3,6,9H2,1-2H3,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R,2R)-2-propylcyclopropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 100629753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).