(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C19H27NO3 — CID 97100987

IUPAC(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCOCCC1(CNC(=O)[C@H]2COc3ccccc32)CCCC1
InChIInChI=1S/C19H27NO3/c1-2-22-12-11-19(9-5-6-10-19)14-20-18(21)16-13-23-17-8-4-3-7-15(16)17/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyBSQHUSREJUDECA-INIZCTEOSA-N
MW317.43 g/mol
LogP3.27
Rot. Bonds7

About (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97100987) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97100987
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCOCCC1(CNC(=O)[C@H]2COc3ccccc32)CCCC1
InChIInChI=1S/C19H27NO3/c1-2-22-12-11-19(9-5-6-10-19)14-20-18(21)16-13-23-17-8-4-3-7-15(16)17/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyBSQHUSREJUDECA-INIZCTEOSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65123924
N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide
CID 167983743
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
methyl 2-bromo-3-(2,3-dihydro-1-benzofuran-3-carbonylamino)propanoate
CID 103492669
N-(2-bromo-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107156608
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 126777115
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103840148
3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
CID 120611837

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97100987) is (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CCOCCC1(CNC(=O)[C@H]2COc3ccccc32)CCCC1.
What is the InChIKey of (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is BSQHUSREJUDECA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-22-12-11-19(9-5-6-10-19)14-20-18(21)16-13-23-17-8-4-3-7-15(16)17/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97100987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).