N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide

C15H19NO2 — CID 10220503

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IUPACN-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
InChIInChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyPTOIAAWZLUQTIO-GXFFZTMASA-N
MW245.32 g/mol
LogP2.25
Rot. Bonds4

About N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide

N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide (PubChem CID 10220503) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
PubChem CID10220503
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
InChIInChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyPTOIAAWZLUQTIO-GXFFZTMASA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Cifea
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(S)-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-YL)ethyl]propanamide
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N-[2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]acetamide
CID 10890175
(s)-1-[2-(Acetylamino)ethyl]-6-methoxyindan
CID 10988162
2,2,2-Trifluoro-N-[2-(6-methoxy-3H-inden-1-yl)-ethyl]-acetamide
CID 11000600
N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
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rac-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-yl)ethyl]propanamide
CID 11053973

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide?
The IUPAC name of N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide (CID 10220503) is N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide?
The canonical SMILES for N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide is CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2.
What is the InChIKey of N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide?
The InChIKey is PTOIAAWZLUQTIO-GXFFZTMASA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1.
What are the key properties of N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide?
N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide has a molecular weight of 245.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 10220503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).