(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C20H28N2O3 — CID 96526182

IUPAC(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1COc2ccccc21)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C20H28N2O3/c1-15(20(8-4-5-9-20)22-10-12-24-13-11-22)21-19(23)17-14-25-18-7-3-2-6-16(17)18/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyOQSVUYFAEYGDSI-DOTOQJQBSA-N
MW344.46 g/mol
LogP2.31
Rot. Bonds4

About (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 96526182) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID96526182
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1COc2ccccc21)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C20H28N2O3/c1-15(20(8-4-5-9-20)22-10-12-24-13-11-22)21-19(23)17-14-25-18-7-3-2-6-16(17)18/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyOQSVUYFAEYGDSI-DOTOQJQBSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213546
N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119894601
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
(1R,2R,4R)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124743285
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
N-[4-(bromomethyl)oxan-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106300971
N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 167843782
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020855
1-(2,3-dihydro-1-benzofuran-3-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595372
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77038856
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 96526182) is (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is C[C@H](NC(=O)[C@@H]1COc2ccccc21)C1(N2CCOCC2)CCCC1.
What is the InChIKey of (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is OQSVUYFAEYGDSI-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(20(8-4-5-9-20)22-10-12-24-13-11-22)21-19(23)17-14-25-18-7-3-2-6-16(17)18/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,21,23)/t15-,17+/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 96526182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).