N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide

C26H25NO3 — CID 18281010

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C26H25NO3/c28-26(22-13-11-21(12-14-22)20-6-2-1-3-7-20)27(23-8-4-5-9-23)17-19-10-15-24-25(16-19)30-18-29-24/h1-3,6-7,10-16,23H,4-5,8-9,17-18H2
InChIKeyPMYYMNQBGJHYSD-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.67
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide (PubChem CID 18281010) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
PubChem CID18281010
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C26H25NO3/c28-26(22-13-11-21(12-14-22)20-6-2-1-3-7-20)27(23-8-4-5-9-23)17-19-10-15-24-25(16-19)30-18-29-24/h1-3,6-7,10-16,23H,4-5,8-9,17-18H2
InChIKeyPMYYMNQBGJHYSD-UHFFFAOYSA-N
XLogP5.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
CID 18190249
[5-[4-[[1,3-benzodioxole-5-carbonyl(cyclopentyl)amino]methyl]phenyl]-2-hydroxyphenyl] hydrogen carbonate
CID 67398301
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-phenyltriazole-4-carboxamide
CID 39095509
N-(1,3-benzodioxol-5-ylmethyl)-4-butyl-N-cyclopropylbenzamide
CID 42723771
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
CID 42723772

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide (CID 18281010) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide is O=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide?
The InChIKey is PMYYMNQBGJHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c28-26(22-13-11-21(12-14-22)20-6-2-1-3-7-20)27(23-8-4-5-9-23)17-19-10-15-24-25(16-19)30-18-29-24/h1-3,6-7,10-16,23H,4-5,8-9,17-18H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide has a molecular weight of 399.49 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide is sourced from PubChem (CID 18281010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).