N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide

C22H20N2O5 — CID 9441714

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide
SMILESO=C(CCc1ccco1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O5/c25-21(10-8-16-4-3-11-27-16)24-18-6-2-1-5-17(18)22(26)23-13-15-7-9-19-20(12-15)29-14-28-19/h1-7,9,11-12H,8,10,13-14H2,(H,23,26)(H,24,25)
InChIKeyQBIAXAYQNMNAHE-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.51
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide (PubChem CID 9441714) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide
PubChem CID9441714
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide
SMILESO=C(CCc1ccco1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H20N2O5/c25-21(10-8-16-4-3-11-27-16)24-18-6-2-1-5-17(18)22(26)23-13-15-7-9-19-20(12-15)29-14-28-19/h1-7,9,11-12H,8,10,13-14H2,(H,23,26)(H,24,25)
InChIKeyQBIAXAYQNMNAHE-UHFFFAOYSA-N
XLogP3.51
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-aminoheptanoylamino)-N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 119680351
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]benzamide
CID 135616497
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
CID 16574742
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
1-[2-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965923
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[(4-amino-3-methoxybutanoyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 120586777
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1,3-benzodioxol-5-yl)prop-2-ynoylamino]benzamide
CID 71849757
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 2456782
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzamide
CID 9113968
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide (CID 9441714) is N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide is O=C(CCc1ccco1)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide?
The InChIKey is QBIAXAYQNMNAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-21(10-8-16-4-3-11-27-16)24-18-6-2-1-5-17(18)22(26)23-13-15-7-9-19-20(12-15)29-14-28-19/h1-7,9,11-12H,8,10,13-14H2,(H,23,26)(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide has a molecular weight of 392.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide is sourced from PubChem (CID 9441714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).