N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C18H26N2O2 — CID 95193246

IUPACN-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)CN1CC[C@@H](CNC(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-20-8-6-14(12-20)10-19-18(21)16-5-3-4-15-7-9-22-17(15)16/h3-5,13-14H,6-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXPQHDFVYRIWLCG-AWEZNQCLSA-N
MW302.42 g/mol
LogP2.33
Rot. Bonds5

About N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 95193246) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID95193246
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(C)CN1CC[C@@H](CNC(=O)c2cccc3c2OCC3)C1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-20-8-6-14(12-20)10-19-18(21)16-5-3-4-15-7-9-22-17(15)16/h3-5,13-14H,6-12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXPQHDFVYRIWLCG-AWEZNQCLSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 56710034
2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95214370
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56720822
6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
CID 95228503
2-[5-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-2-pyridinyl]benzoic acid
CID 95527694
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56705447
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 67794762
N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 67794502

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 95193246) is N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CC(C)CN1CC[C@@H](CNC(=O)c2cccc3c2OCC3)C1.
What is the InChIKey of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is XPQHDFVYRIWLCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)11-20-8-6-14(12-20)10-19-18(21)16-5-3-4-15-7-9-22-17(15)16/h3-5,13-14H,6-12H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 95193246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).