N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide

C17H16N6O3 — CID 1463747

IUPACN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(N)=O)n2)cc1
InChIInChI=1S/C17H16N6O3/c1-26-12-8-6-11(7-9-12)17(25)19-14-5-3-2-4-13(14)16-20-22-23(21-16)10-15(18)24/h2-9H,10H2,1H3,(H2,18,24)(H,19,25)
InChIKeyUXVLZOWDMWWVSV-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.09
Rot. Bonds6

About N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide

N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide (PubChem CID 1463747) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide
PubChem CID1463747
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(N)=O)n2)cc1
InChIInChI=1S/C17H16N6O3/c1-26-12-8-6-11(7-9-12)17(25)19-14-5-3-2-4-13(14)16-20-22-23(21-16)10-15(18)24/h2-9H,10H2,1H3,(H2,18,24)(H,19,25)
InChIKeyUXVLZOWDMWWVSV-UHFFFAOYSA-N
XLogP1.09
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Furan-2-carboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 656033
N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
3-{2-[5-(4-Propoxy-phenyl)-tetrazol-2-yl]-acetylamino}-benzoic acid methyl ester
CID 645014
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-3,4,5-trimethoxy-benzamide
CID 646773
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
methyl 2-({[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetyl}amino)benzoate
CID 1128375
Cyclohexanecarboxylic acid (4-{2-[(4-methoxy-benzylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 1452551
Cyclohexanecarboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 1463733
2,2,2-Trifluoro-N-(2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-acetamide
CID 1463734

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide (CID 1463747) is N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(N)=O)n2)cc1.
What is the InChIKey of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
The InChIKey is UXVLZOWDMWWVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-26-12-8-6-11(7-9-12)17(25)19-14-5-3-2-4-13(14)16-20-22-23(21-16)10-15(18)24/h2-9H,10H2,1H3,(H2,18,24)(H,19,25).
What are the key properties of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide?
N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide has a molecular weight of 352.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1463747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).