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

C13H17N5O2 — CID 143820171

IUPACN-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(C)cc(-n2cnnn2)c1
InChIInChI=1S/C13H17N5O2/c1-9-4-11(13(19)15-10(2)7-20-3)6-12(5-9)18-8-14-16-17-18/h4-6,8,10H,7H2,1-3H3,(H,15,19)
InChIKeyTUCYYWQKNMDRFR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.74
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide (PubChem CID 143820171) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
PubChem CID143820171
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(C)cc(-n2cnnn2)c1
InChIInChI=1S/C13H17N5O2/c1-9-4-11(13(19)15-10(2)7-20-3)6-12(5-9)18-8-14-16-17-18/h4-6,8,10H,7H2,1-3H3,(H,15,19)
InChIKeyTUCYYWQKNMDRFR-UHFFFAOYSA-N
XLogP0.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 42641824
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide (CID 143820171) is N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide is COCC(C)NC(=O)c1cc(C)cc(-n2cnnn2)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide?
The InChIKey is TUCYYWQKNMDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-4-11(13(19)15-10(2)7-20-3)6-12(5-9)18-8-14-16-17-18/h4-6,8,10H,7H2,1-3H3,(H,15,19).
What are the key properties of N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide?
N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.74, 5 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-methyl-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 143820171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).