N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide

C19H23NO5 — CID 78824819

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)o1
InChIInChI=1S/C19H23NO5/c1-12(2)18(13-4-6-15-17(10-13)24-9-8-23-15)20-19(21)16-7-5-14(25-16)11-22-3/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyRAOSJLBRROAECV-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78824819) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78824819
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)o1
InChIInChI=1S/C19H23NO5/c1-12(2)18(13-4-6-15-17(10-13)24-9-8-23-15)20-19(21)16-7-5-14(25-16)11-22-3/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyRAOSJLBRROAECV-UHFFFAOYSA-N
XLogP3.32
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methoxybutanamide
CID 94232170
4-(acetamidomethyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 18086663
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 9258530
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 18198331
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 55997594
3-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 41215221
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3,5-difluorobenzamide
CID 9193516
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-methylpyrazine-2-carboxamide
CID 27676248
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7669638
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-phenoxybenzamide
CID 7669654
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427422

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78824819) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)o1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is RAOSJLBRROAECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-12(2)18(13-4-6-15-17(10-13)24-9-8-23-15)20-19(21)16-7-5-14(25-16)11-22-3/h4-7,10,12,18H,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78824819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).