(2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C18H27ClN2O4 — CID 120919750

IUPAC(2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOc1cc2c(cc1CNC(=O)[C@H]1NCCO[C@@H]1C)OC(C)C2.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-4-22-15-8-13-7-11(2)24-16(13)9-14(15)10-20-18(21)17-12(3)23-6-5-19-17;/h8-9,11-12,17,19H,4-7,10H2,1-3H3,(H,20,21);1H/t11?,12-,17+;/m1./s1
InChIKeyLQWZPEQJJLQWBR-LIMPUMAFSA-N
MW370.88 g/mol
LogP1.82
Rot. Bonds5

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

(2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120919750) has the molecular formula C18H27ClN2O4 and a molecular weight of 370.88 g/mol. Its IUPAC name is (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120919750
Molecular FormulaC18H27ClN2O4
Molecular Weight370.88 g/mol
Exact Mass370.17
IUPAC Name(2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOc1cc2c(cc1CNC(=O)[C@H]1NCCO[C@@H]1C)OC(C)C2.Cl
InChIInChI=1S/C18H26N2O4.ClH/c1-4-22-15-8-13-7-11(2)24-16(13)9-14(15)10-20-18(21)17-12(3)23-6-5-19-17;/h8-9,11-12,17,19H,4-7,10H2,1-3H3,(H,20,21);1H/t11?,12-,17+;/m1./s1
InChIKeyLQWZPEQJJLQWBR-LIMPUMAFSA-N
XLogP1.82
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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-methylbutanamide
CID 51646726
(2R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646725
(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
CID 119272698
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24603625
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
CID 92784205
1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 17391767
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119692331
(3R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 40919181
(3R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 40919179
2-(4-bromophenyl)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
CID 9398495

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120919750) is (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCOc1cc2c(cc1CNC(=O)[C@H]1NCCO[C@@H]1C)OC(C)C2.Cl.
What is the InChIKey of (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is LQWZPEQJJLQWBR-LIMPUMAFSA-N. The full InChI is InChI=1S/C18H26N2O4.ClH/c1-4-22-15-8-13-7-11(2)24-16(13)9-14(15)10-20-18(21)17-12(3)23-6-5-19-17;/h8-9,11-12,17,19H,4-7,10H2,1-3H3,(H,20,21);1H/t11?,12-,17+;/m1./s1.
What are the key properties of (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120919750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).