N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

C19H19N9O3 — CID 1455344

IUPACN-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2nnc(-c3ccc(C)cc3-n3cnnn3)n2)cc(OC)c1
InChIInChI=1S/C19H19N9O3/c1-12-4-5-16(17(6-12)27-11-20-24-26-27)19-22-25-28(23-19)10-18(29)21-13-7-14(30-2)9-15(8-13)31-3/h4-9,11H,10H2,1-3H3,(H,21,29)
InChIKeyXNAJESYNLSFTSR-UHFFFAOYSA-N
MW421.42 g/mol
LogP1.28
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 1455344) has the molecular formula C19H19N9O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
PubChem CID1455344
Molecular FormulaC19H19N9O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2nnc(-c3ccc(C)cc3-n3cnnn3)n2)cc(OC)c1
InChIInChI=1S/C19H19N9O3/c1-12-4-5-16(17(6-12)27-11-20-24-26-27)19-22-25-28(23-19)10-18(29)21-13-7-14(30-2)9-15(8-13)31-3/h4-9,11H,10H2,1-3H3,(H,21,29)
InChIKeyXNAJESYNLSFTSR-UHFFFAOYSA-N
XLogP1.28
TPSA134.76 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 1455340
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-[5-[4-chloro-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1455314
N-(4-ethylphenyl)-2-[5-[2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide
CID 3382696
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide (CID 1455344) is N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is COc1cc(NC(=O)Cn2nnc(-c3ccc(C)cc3-n3cnnn3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is XNAJESYNLSFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O3/c1-12-4-5-16(17(6-12)27-11-20-24-26-27)19-22-25-28(23-19)10-18(29)21-13-7-14(30-2)9-15(8-13)31-3/h4-9,11H,10H2,1-3H3,(H,21,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 421.42 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[5-[4-methyl-2-(tetrazol-1-yl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1455344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).