N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide

C21H17NO4 — CID 777218

IUPACN-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H17NO4/c23-21(16-6-11-19-20(12-16)26-14-25-19)22-17-7-9-18(10-8-17)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,22,23)
InChIKeyGJSNJWXRUSEVIC-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.25
Rot. Bonds5

About N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide

N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 777218) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID777218
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC NameN-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H17NO4/c23-21(16-6-11-19-20(12-16)26-14-25-19)22-17-7-9-18(10-8-17)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,22,23)
InChIKeyGJSNJWXRUSEVIC-UHFFFAOYSA-N
XLogP4.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592939
(E)-1-(1,3-benzodioxol-5-yl)-3-(4-phenylmethoxyanilino)prop-2-en-1-one
CID 51045579
2-(1,3-benzodioxol-5-ylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 71903508
N-[4-[benzyl(methyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982312
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
CID 992710
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625220
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-methoxybenzamide
CID 55804746
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide (CID 777218) is N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is GJSNJWXRUSEVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-21(16-6-11-19-20(12-16)26-14-25-19)22-17-7-9-18(10-8-17)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,22,23).
What are the key properties of N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 777218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).