N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide

C19H21N5O2 — CID 24889642

IUPACN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O2/c1-13-4-6-15(7-5-13)16-8-17(19(25)21-14(2)11-26-3)10-18(9-16)24-12-20-22-23-24/h4-10,12,14H,11H2,1-3H3,(H,21,25)
InChIKeyFBAVRCNPQIMABZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.40
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 24889642) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID24889642
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O2/c1-13-4-6-15(7-5-13)16-8-17(19(25)21-14(2)11-26-3)10-18(9-16)24-12-20-22-23-24/h4-10,12,14H,11H2,1-3H3,(H,21,25)
InChIKeyFBAVRCNPQIMABZ-UHFFFAOYSA-N
XLogP2.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
CID 143820171
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 42641824
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 124560386
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 122640774
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide (CID 24889642) is N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cnnn2)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is FBAVRCNPQIMABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-4-6-15(7-5-13)16-8-17(19(25)21-14(2)11-26-3)10-18(9-16)24-12-20-22-23-24/h4-10,12,14H,11H2,1-3H3,(H,21,25).
What are the key properties of N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide?
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 24889642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).