N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide

C15H21N5O2 — CID 75519212

IUPACN-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC(C)(C)C)cc1-n1cnnn1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)9-19(4)14(21)11-6-7-13(22-5)12(8-11)20-10-16-17-18-20/h6-8,10H,9H2,1-5H3
InChIKeyPXFJXBPPKQTBSW-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.79
Rot. Bonds4

About N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide

N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide (PubChem CID 75519212) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
PubChem CID75519212
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC(C)(C)C)cc1-n1cnnn1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)9-19(4)14(21)11-6-7-13(22-5)12(8-11)20-10-16-17-18-20/h6-8,10H,9H2,1-5H3
InChIKeyPXFJXBPPKQTBSW-UHFFFAOYSA-N
XLogP1.79
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]-methylamino]propanoic acid
CID 120524969
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
3-[cyclopropyl-[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]-2-methylpropanoic acid
CID 120535194
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
CID 75519257
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-4-(tetrazol-1-yl)benzamide
CID 55771254
[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 126804442
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
5-(dimethylamino)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 167966168

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide (CID 75519212) is N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide is COc1ccc(C(=O)N(C)CC(C)(C)C)cc1-n1cnnn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is PXFJXBPPKQTBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)9-19(4)14(21)11-6-7-13(22-5)12(8-11)20-10-16-17-18-20/h6-8,10H,9H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide?
N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 303.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 75519212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).