(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C14H17NO2 — CID 99808270

IUPAC(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C14H17NO2/c1-2-9-7-12(9)15-14(16)11-8-17-13-6-4-3-5-10(11)13/h3-6,9,11-12H,2,7-8H2,1H3,(H,15,16)/t9-,11-,12-/m1/s1
InChIKeyWOFIRLDXWZDIPP-YUSALJHKSA-N
MW231.29 g/mol
LogP2.08
Rot. Bonds3

About (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 99808270) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID99808270
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C14H17NO2/c1-2-9-7-12(9)15-14(16)11-8-17-13-6-4-3-5-10(11)13/h3-6,9,11-12H,2,7-8H2,1H3,(H,15,16)/t9-,11-,12-/m1/s1
InChIKeyWOFIRLDXWZDIPP-YUSALJHKSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
N-(2-amino-4-ethoxycyclobutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66197601
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
N-(1-amino-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106164175
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313869
N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103945735
N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 122691794

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 99808270) is (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CC[C@@H]1C[C@H]1NC(=O)[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is WOFIRLDXWZDIPP-YUSALJHKSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-9-7-12(9)15-14(16)11-8-17-13-6-4-3-5-10(11)13/h3-6,9,11-12H,2,7-8H2,1H3,(H,15,16)/t9-,11-,12-/m1/s1.
What are the key properties of (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 99808270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).