N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide

C24H25NO5 — CID 42921735

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)N(C)CC3COc4ccccc4O3)o2)cc1
InChIInChI=1S/C24H25NO5/c1-25(15-20-16-28-22-5-3-4-6-23(22)30-20)24(26)14-12-19-11-13-21(29-19)17-7-9-18(27-2)10-8-17/h3-11,13,20H,12,14-16H2,1-2H3
InChIKeyJKGOQZGIVUTXDV-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.19
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide (PubChem CID 42921735) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
PubChem CID42921735
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)N(C)CC3COc4ccccc4O3)o2)cc1
InChIInChI=1S/C24H25NO5/c1-25(15-20-16-28-22-5-3-4-6-23(22)30-20)24(26)14-12-19-11-13-21(29-19)17-7-9-18(27-2)10-8-17/h3-11,13,20H,12,14-16H2,1-2H3
InChIKeyJKGOQZGIVUTXDV-UHFFFAOYSA-N
XLogP4.19
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 51873142
2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817257
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 93239749
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-4-methoxybenzamide
CID 78711266
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 2532585
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methoxyphenyl)-1-methylthiourea
CID 2460183
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 9465275
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylacetamide
CID 9337612
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
4-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120586924
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 94821663
3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 24524950

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide (CID 42921735) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide is COc1ccc(-c2ccc(CCC(=O)N(C)CC3COc4ccccc4O3)o2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
The InChIKey is JKGOQZGIVUTXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-25(15-20-16-28-22-5-3-4-6-23(22)30-20)24(26)14-12-19-11-13-21(29-19)17-7-9-18(27-2)10-8-17/h3-11,13,20H,12,14-16H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide has a molecular weight of 407.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[5-(4-methoxyphenyl)furan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 42921735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).