N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide

C18H19N5O2 — CID 131949493

IUPACN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2OC)cc1
InChIInChI=1S/C18H19N5O2/c1-3-4-13-5-7-14(8-6-13)18(24)20-16-10-9-15(11-17(16)25-2)23-12-19-21-22-23/h5-12H,3-4H2,1-2H3,(H,20,24)
InChIKeyUBRKJVYSIWDNMD-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.88
Rot. Bonds6

About N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide

N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide (PubChem CID 131949493) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
PubChem CID131949493
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2OC)cc1
InChIInChI=1S/C18H19N5O2/c1-3-4-13-5-7-14(8-6-13)18(24)20-16-10-9-15(11-17(16)25-2)23-12-19-21-22-23/h5-12H,3-4H2,1-2H3,(H,20,24)
InChIKeyUBRKJVYSIWDNMD-UHFFFAOYSA-N
XLogP2.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 131944143
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
4-(2-aminoethyl)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]benzamide;hydrochloride
CID 154912324
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide?
The IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide (CID 131949493) is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide?
The canonical SMILES for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2OC)cc1.
What is the InChIKey of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide?
The InChIKey is UBRKJVYSIWDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-4-13-5-7-14(8-6-13)18(24)20-16-10-9-15(11-17(16)25-2)23-12-19-21-22-23/h5-12H,3-4H2,1-2H3,(H,20,24).
What are the key properties of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide?
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide is sourced from PubChem (CID 131949493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).