(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).