N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide

C22H19NO5 — CID 75453681

IUPACN-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc3c2OCO3)ccc1OCc1ccccc1
InChIInChI=1S/C22H19NO5/c1-25-20-12-16(10-11-18(20)26-13-15-6-3-2-4-7-15)22(24)23-17-8-5-9-19-21(17)28-14-27-19/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyWPQVUHFPGRHMRD-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.26
Rot. Bonds6

About N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide

N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 75453681) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide
PubChem CID75453681
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC NameN-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc3c2OCO3)ccc1OCc1ccccc1
InChIInChI=1S/C22H19NO5/c1-25-20-12-16(10-11-18(20)26-13-15-6-3-2-4-7-15)22(24)23-17-8-5-9-19-21(17)28-14-27-19/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyWPQVUHFPGRHMRD-UHFFFAOYSA-N
XLogP4.26
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-(2-ethoxy-3-pyridinyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34876331
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
N-(2-benzylphenyl)-3-methoxy-4-propoxybenzamide
CID 2461218
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
N-[3-(dimethylsulfamoyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 26654034

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide (CID 75453681) is N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2cccc3c2OCO3)ccc1OCc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is WPQVUHFPGRHMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-25-20-12-16(10-11-18(20)26-13-15-6-3-2-4-7-15)22(24)23-17-8-5-9-19-21(17)28-14-27-19/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide?
N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 377.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-yl)-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 75453681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).