(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H24N2O3 — CID 51925066

IUPAC(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H24N2O3/c1-22(21(24)20-14-16-6-3-5-9-19(16)26-20)15-17-7-2-4-8-18(17)23-10-12-25-13-11-23/h2-9,20H,10-15H2,1H3/t20-/m1/s1
InChIKeyDUFGANCPPNRMMD-HXUWFJFHSA-N
MW352.43 g/mol
LogP2.49
Rot. Bonds4

About (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51925066) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51925066
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C21H24N2O3/c1-22(21(24)20-14-16-6-3-5-9-19(16)26-20)15-17-7-2-4-8-18(17)23-10-12-25-13-11-23/h2-9,20H,10-15H2,1H3/t20-/m1/s1
InChIKeyDUFGANCPPNRMMD-HXUWFJFHSA-N
XLogP2.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51233290
(2S)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 38274296
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
(2S)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124612285
(2R,3S)-N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938281
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
(2S)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9085002

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51925066) is (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DUFGANCPPNRMMD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22(21(24)20-14-16-6-3-5-9-19(16)26-20)15-17-7-2-4-8-18(17)23-10-12-25-13-11-23/h2-9,20H,10-15H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51925066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).