N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C18H17N5O4 — CID 131944143

IUPACN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C18H17N5O4/c1-11-7-16-17(27-6-5-26-16)9-13(11)18(24)20-14-4-3-12(8-15(14)25-2)23-10-19-21-22-23/h3-4,7-10H,5-6H2,1-2H3,(H,20,24)
InChIKeyVAZARVXZSRUUIR-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.00
Rot. Bonds4

About N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 131944143) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID131944143
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C18H17N5O4/c1-11-7-16-17(27-6-5-26-16)9-13(11)18(24)20-14-4-3-12(8-15(14)25-2)23-10-19-21-22-23/h3-4,7-10H,5-6H2,1-2H3,(H,20,24)
InChIKeyVAZARVXZSRUUIR-UHFFFAOYSA-N
XLogP2.00
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131931402
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
CID 131949493
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131910795
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763750
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-(2,4-dimethoxyphenyl)-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzamide
CID 71346601
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 131944143) is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1cc(-n2cnnn2)ccc1NC(=O)c1cc2c(cc1C)OCCO2.
What is the InChIKey of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is VAZARVXZSRUUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-11-7-16-17(27-6-5-26-16)9-13(11)18(24)20-14-4-3-12(8-15(14)25-2)23-10-19-21-22-23/h3-4,7-10H,5-6H2,1-2H3,(H,20,24).
What are the key properties of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 131944143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).