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

C16H15NO5 — CID 16619123

IUPACN-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C16H15NO5/c1-19-12-6-4-11(8-14(12)20-2)17-16(18)10-3-5-13-15(7-10)22-9-21-13/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyHPTYFHNOIAUFRJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.68
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 16619123) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID16619123
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC NameN-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC
InChIInChI=1S/C16H15NO5/c1-19-12-6-4-11(8-14(12)20-2)17-16(18)10-3-5-13-15(7-10)22-9-21-13/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyHPTYFHNOIAUFRJ-UHFFFAOYSA-N
XLogP2.68
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]-3,4-dimethoxybenzamide
CID 112989157
N-(4-methoxy-3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
CID 2205336
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18226804
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7686735
N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090058
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyanilino)prop-2-en-1-one
CID 740367
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide (CID 16619123) is N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is HPTYFHNOIAUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-19-12-6-4-11(8-14(12)20-2)17-16(18)10-3-5-13-15(7-10)22-9-21-13/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 16619123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).