4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide

C20H22N6O2 — CID 48857945

IUPAC4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H22N6O2/c1-13-5-10-16(26-12-21-24-25-26)11-17(13)22-18(27)14-6-8-15(9-7-14)19(28)23-20(2,3)4/h5-12H,1-4H3,(H,22,27)(H,23,28)
InChIKeyQIONISNDXJPMBJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.75
Rot. Bonds4

About 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 48857945) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
PubChem CID48857945
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H22N6O2/c1-13-5-10-16(26-12-21-24-25-26)11-17(13)22-18(27)14-6-8-15(9-7-14)19(28)23-20(2,3)4/h5-12H,1-4H3,(H,22,27)(H,23,28)
InChIKeyQIONISNDXJPMBJ-UHFFFAOYSA-N
XLogP2.75
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
4-tert-butyl-N-[3-[2-methyl-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55780761
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
4-fluoro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55780608
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 94001278
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide (CID 48857945) is 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide is Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is QIONISNDXJPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-13-5-10-16(26-12-21-24-25-26)11-17(13)22-18(27)14-6-8-15(9-7-14)19(28)23-20(2,3)4/h5-12H,1-4H3,(H,22,27)(H,23,28).
What are the key properties of 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 48857945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).