4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C11H13N5O2 — CID 60910753

IUPAC4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O2/c1-7(10-13-15-16-14-10)12-11(17)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyWGBBSPALUAMGOB-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.70
Rot. Bonds4

About 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 60910753) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID60910753
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O2/c1-7(10-13-15-16-14-10)12-11(17)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyWGBBSPALUAMGOB-UHFFFAOYSA-N
XLogP0.70
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
6-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 62174233
4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 45251703
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31354794
[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 135238899
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97279085
(2-amino-2-oxoethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568293
2-phenyl-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97207911

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 60910753) is 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2nn[nH]n2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is WGBBSPALUAMGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7(10-13-15-16-14-10)12-11(17)8-3-5-9(18-2)6-4-8/h3-7H,1-2H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 247.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 60910753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).