N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

C23H23NO5 — CID 43025076

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)Cc2ccccc21
InChIInChI=1S/C23H23NO5/c25-22(21-12-16-5-1-4-8-18(16)23(26)29-21)24(17-6-2-3-7-17)13-15-9-10-19-20(11-15)28-14-27-19/h1,4-5,8-11,17,21H,2-3,6-7,12-14H2
InChIKeyDFUOBWJFEWCAGF-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.47
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 43025076) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID43025076
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)Cc2ccccc21
InChIInChI=1S/C23H23NO5/c25-22(21-12-16-5-1-4-8-18(16)23(26)29-21)24(17-6-2-3-7-17)13-15-9-10-19-20(11-15)28-14-27-19/h1,4-5,8-11,17,21H,2-3,6-7,12-14H2
InChIKeyDFUOBWJFEWCAGF-UHFFFAOYSA-N
XLogP3.47
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
CID 18190249
N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-phenyltriazole-4-carboxamide
CID 39095509
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
4-benzyl-N-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholine-2-carboxamide
CID 16755584

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 43025076) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is O=C1OC(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)Cc2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is DFUOBWJFEWCAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c25-22(21-12-16-5-1-4-8-18(16)23(26)29-21)24(17-6-2-3-7-17)13-15-9-10-19-20(11-15)28-14-27-19/h1,4-5,8-11,17,21H,2-3,6-7,12-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 43025076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).