N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide

C27H24N2O6 — CID 55712547

IUPACN-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)Nc1ccccc1C(=O)NCc1ccc3c(c1)OCO3)=C2
InChIInChI=1S/C27H24N2O6/c1-2-32-23-9-5-6-18-13-19(15-33-25(18)23)26(30)29-21-8-4-3-7-20(21)27(31)28-14-17-10-11-22-24(12-17)35-16-34-22/h3-13H,2,14-16H2,1H3,(H,28,31)(H,29,30)
InChIKeyVCQQODYEESJRQJ-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.16
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide

N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide (PubChem CID 55712547) has the molecular formula C27H24N2O6 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide
PubChem CID55712547
Molecular FormulaC27H24N2O6
Molecular Weight472.50 g/mol
Exact Mass472.16
IUPAC NameN-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)Nc1ccccc1C(=O)NCc1ccc3c(c1)OCO3)=C2
InChIInChI=1S/C27H24N2O6/c1-2-32-23-9-5-6-18-13-19(15-33-25(18)23)26(30)29-21-8-4-3-7-20(21)27(31)28-14-17-10-11-22-24(12-17)35-16-34-22/h3-13H,2,14-16H2,1H3,(H,28,31)(H,29,30)
InChIKeyVCQQODYEESJRQJ-UHFFFAOYSA-N
XLogP4.16
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 51122093
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-ethoxybenzamide
CID 9314669
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
CID 119438960
ethyl 5-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42998632
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 8873846
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 2456782
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18077783

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide (CID 55712547) is N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)Nc1ccccc1C(=O)NCc1ccc3c(c1)OCO3)=C2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is VCQQODYEESJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O6/c1-2-32-23-9-5-6-18-13-19(15-33-25(18)23)26(30)29-21-8-4-3-7-20(21)27(31)28-14-17-10-11-22-24(12-17)35-16-34-22/h3-13H,2,14-16H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide?
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 55712547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).