N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide

C18H19N5O3 — CID 1124038

IUPACN-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-25-15-9-8-14(10-16(15)26-2)18-20-22-23(21-18)12-17(24)19-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,24)
InChIKeyYJDNKEAIGFKAFI-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.67
Rot. Bonds7

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

N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 1124038) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID1124038
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-25-15-9-8-14(10-16(15)26-2)18-20-22-23(21-18)12-17(24)19-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,24)
InChIKeyYJDNKEAIGFKAFI-UHFFFAOYSA-N
XLogP1.67
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 53393835
CID 53393835
N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
Cjd-hdl-113-2
CID 53262912
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 53347981
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
2-[cyclohexyl-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347995
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-(oxan-4-yl)amino]-N-cyclopentylpropanamide
CID 53377432
2-[cyclohexyl-[2-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53377445
N-Benzo[1,3]dioxol-5-ylmethyl-2-(5-phenyl-tetrazol-2-yl)-acetamide
CID 648011
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-ethoxy-phenyl)-acetamide
CID 649643

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide (CID 1124038) is N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide is COc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1OC.
What is the InChIKey of N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is YJDNKEAIGFKAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-15-9-8-14(10-16(15)26-2)18-20-22-23(21-18)12-17(24)19-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,19,24).
What are the key properties of N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide?
N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1124038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).