N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide

C18H22N2O5 — CID 119129029

IUPACN-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide
SMILESCOc1cc(CNC(C)C(=O)NCc2ccco2)cc2c1OCCO2
InChIInChI=1S/C18H22N2O5/c1-12(18(21)20-11-14-4-3-5-23-14)19-10-13-8-15(22-2)17-16(9-13)24-6-7-25-17/h3-5,8-9,12,19H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyBZZKGTAAJFISCV-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.85
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide

N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide (PubChem CID 119129029) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide
PubChem CID119129029
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide
SMILESCOc1cc(CNC(C)C(=O)NCc2ccco2)cc2c1OCCO2
InChIInChI=1S/C18H22N2O5/c1-12(18(21)20-11-14-4-3-5-23-14)19-10-13-8-15(22-2)17-16(9-13)24-6-7-25-17/h3-5,8-9,12,19H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyBZZKGTAAJFISCV-UHFFFAOYSA-N
XLogP1.85
TPSA81.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide with MolForge

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Related Compounds

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067162
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-N-(furan-2-ylmethyl)propanamide
CID 124556782
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
(2R)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-phenylpropanoic acid
CID 99796454
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115623172
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
CID 95586358
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide (CID 119129029) is N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide is COc1cc(CNC(C)C(=O)NCc2ccco2)cc2c1OCCO2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide?
The InChIKey is BZZKGTAAJFISCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-12(18(21)20-11-14-4-3-5-23-14)19-10-13-8-15(22-2)17-16(9-13)24-6-7-25-17/h3-5,8-9,12,19H,6-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide?
N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide has a molecular weight of 346.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide is sourced from PubChem (CID 119129029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).