N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide

C26H25NO4 — CID 42785999

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H25NO4/c28-26(23-12-13-29-17-23)27(16-20-8-11-24-25(14-20)31-18-30-24)15-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,14,23H,12-13,15-18H2
InChIKeyLAWBEYYKNRJQSV-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.65
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide (PubChem CID 42785999) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide
PubChem CID42785999
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H25NO4/c28-26(23-12-13-29-17-23)27(16-20-8-11-24-25(14-20)31-18-30-24)15-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,14,23H,12-13,15-18H2
InChIKeyLAWBEYYKNRJQSV-UHFFFAOYSA-N
XLogP4.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 74234588
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide
CID 95318377
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]oxane-2-carboxamide
CID 99948837
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 97054048
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 42776726
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-[[3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-benzylcyclopentanecarboxamide
CID 42790060
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
CID 61272179
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide (CID 42785999) is N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide is O=C(C1CCOC1)N(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is LAWBEYYKNRJQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c28-26(23-12-13-29-17-23)27(16-20-8-11-24-25(14-20)31-18-30-24)15-19-6-9-22(10-7-19)21-4-2-1-3-5-21/h1-11,14,23H,12-13,15-18H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-phenylphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 42785999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).