(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide

C17H25NO3 — CID 51646726

IUPAC(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
SMILESCCOc1cc2c(cc1CNC(=O)[C@H](C)CC)O[C@@H](C)C2
InChIInChI=1S/C17H25NO3/c1-5-11(3)17(19)18-10-14-9-16-13(7-12(4)21-16)8-15(14)20-6-2/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyKYXGSCUWFIPPTH-NEPJUHHUSA-N
MW291.39 g/mol
LogP3.07
Rot. Bonds6

About (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide

(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide (PubChem CID 51646726) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
PubChem CID51646726
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
SMILESCCOc1cc2c(cc1CNC(=O)[C@H](C)CC)O[C@@H](C)C2
InChIInChI=1S/C17H25NO3/c1-5-11(3)17(19)18-10-14-9-16-13(7-12(4)21-16)8-15(14)20-6-2/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyKYXGSCUWFIPPTH-NEPJUHHUSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide with MolForge

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Related Compounds

(2R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646725
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119692331
(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
CID 119272698
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934556
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934557
(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34952429
N-[(2S,3S)-1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 9399232
N-[(2S,3S)-1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24550167
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 24550152
N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 31736213
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-propan-2-yloxybenzamide
CID 18274536
1-[(2R)-2-cyanopropyl]-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-methylurea
CID 97101155

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide (CID 51646726) is (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide is CCOc1cc2c(cc1CNC(=O)[C@H](C)CC)O[C@@H](C)C2.
What is the InChIKey of (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide?
The InChIKey is KYXGSCUWFIPPTH-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-11(3)17(19)18-10-14-9-16-13(7-12(4)21-16)8-15(14)20-6-2/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide?
(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide is sourced from PubChem (CID 51646726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).