N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C16H25ClN2O3 — CID 119697410

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCOc1cc2c(cc1NC(=O)C(C)CNC)OC(C)C2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-5-20-15-7-12-6-11(3)21-14(12)8-13(15)18-16(19)10(2)9-17-4;/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19);1H
InChIKeyMTLGMGHSDBAAHJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.62
Rot. Bonds6

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119697410) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119697410
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCOc1cc2c(cc1NC(=O)C(C)CNC)OC(C)C2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-5-20-15-7-12-6-11(3)21-14(12)8-13(15)18-16(19)10(2)9-17-4;/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19);1H
InChIKeyMTLGMGHSDBAAHJ-UHFFFAOYSA-N
XLogP2.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide
CID 79203858
(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
CID 79011910
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119692331
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methoxypropanamide
CID 106112484
3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoylamino]propanoic acid
CID 122075038
2-(2,3-dichlorophenoxy)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide
CID 43078029
(2S)-N-(2-chlorophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25342906
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 112825323
1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(4-hydroxycyclohexyl)urea
CID 95155893
(2S)-N-(2,4-dichlorophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25360069
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-(2-bromo-4-methylphenyl)-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]propanamide
CID 42926535

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119697410) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CCOc1cc2c(cc1NC(=O)C(C)CNC)OC(C)C2.Cl.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is MTLGMGHSDBAAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-5-20-15-7-12-6-11(3)21-14(12)8-13(15)18-16(19)10(2)9-17-4;/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119697410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).