N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H17NO5 — CID 841491

IUPACN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C17H17NO5/c1-20-13-6-4-12(10-15(13)21-2)18-17(19)11-3-5-14-16(9-11)23-8-7-22-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyDUJDWXZEBDJCII-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.73
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 841491) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID841491
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C17H17NO5/c1-20-13-6-4-12(10-15(13)21-2)18-17(19)11-3-5-14-16(9-11)23-8-7-22-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyDUJDWXZEBDJCII-UHFFFAOYSA-N
XLogP2.73
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18226804
4-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzamide
CID 1000603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]-3,4-dimethoxybenzamide
CID 112989157
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344
N-(4-methoxy-3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
CID 2205336
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 841491) is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is DUJDWXZEBDJCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-20-13-6-4-12(10-15(13)21-2)18-17(19)11-3-5-14-16(9-11)23-8-7-22-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.73, 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)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 841491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).