N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide

C19H21NO4 — CID 110793620

IUPACN-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C(C)C)cc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO4/c1-12(2)13-4-6-16(22-3)15(8-13)10-20-19(21)14-5-7-17-18(9-14)24-11-23-17/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeySALSFBVKUBHPGB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.48
Rot. Bonds5

About N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110793620) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110793620
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(C(C)C)cc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H21NO4/c1-12(2)13-4-6-16(22-3)15(8-13)10-20-19(21)14-5-7-17-18(9-14)24-11-23-17/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeySALSFBVKUBHPGB-UHFFFAOYSA-N
XLogP3.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793489
N-[(5-ethyl-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793911
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794272
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 94048936
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 110769403
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 42456106
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794166
N-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113100241
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 27928656

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110793620) is N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(C(C)C)cc1CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SALSFBVKUBHPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12(2)13-4-6-16(22-3)15(8-13)10-20-19(21)14-5-7-17-18(9-14)24-11-23-17/h4-9,12H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110793620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).