N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide

C11H13N5O2 — CID 2559642

IUPACN-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)13-11(17)6-16-7-12-14-15-16/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyMRRXGLUWSLHNOO-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.63
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 2559642) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID2559642
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)13-11(17)6-16-7-12-14-15-16/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyMRRXGLUWSLHNOO-UHFFFAOYSA-N
XLogP0.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxy-5-methylphenyl)-1H-tetrazole
CID 950841
N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971791
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
2-[(1-benzyl-1H-tetrazol-5-yl)thio]-N-(2-methoxyphenyl)acetamide
CID 1319426
N-(2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511456
N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 2472603
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9119281
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)-acetamide
CID 3228982
2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(1-tetrazolyl)phenyl]acetamide
CID 1439460
N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 698772
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 45853456
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 47068725

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide (CID 2559642) is N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide is COc1ccc(C)cc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is MRRXGLUWSLHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)13-11(17)6-16-7-12-14-15-16/h3-5,7H,6H2,1-2H3,(H,13,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2559642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).