4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide

C24H30N6O2 — CID 55614160

IUPAC4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1-n1cnnn1
InChIInChI=1S/C24H30N6O2/c1-15(2)21(27-22(31)17-8-10-18(11-9-17)24(4,5)6)23(32)26-19-12-7-16(3)20(13-19)30-14-25-28-29-30/h7-15,21H,1-6H3,(H,26,32)(H,27,31)
InChIKeyUAWZUHSJHFKPCC-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.66
Rot. Bonds6

About 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide

4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide (PubChem CID 55614160) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide
PubChem CID55614160
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1-n1cnnn1
InChIInChI=1S/C24H30N6O2/c1-15(2)21(27-22(31)17-8-10-18(11-9-17)24(4,5)6)23(32)26-19-12-7-16(3)20(13-19)30-14-25-28-29-30/h7-15,21H,1-6H3,(H,26,32)(H,27,31)
InChIKeyUAWZUHSJHFKPCC-UHFFFAOYSA-N
XLogP3.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
4-tert-butyl-N-[(2S)-1-(3-chloro-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 7611252
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 2079994
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
(2S)-2-amino-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 119798054
(2S)-2-amino-4-methylsulfanyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide
CID 61154272
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide (CID 55614160) is 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide is Cc1ccc(NC(=O)C(NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1-n1cnnn1.
What is the InChIKey of 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
The InChIKey is UAWZUHSJHFKPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15(2)21(27-22(31)17-8-10-18(11-9-17)24(4,5)6)23(32)26-19-12-7-16(3)20(13-19)30-14-25-28-29-30/h7-15,21H,1-6H3,(H,26,32)(H,27,31).
What are the key properties of 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide?
4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-methyl-1-[4-methyl-3-(tetrazol-1-yl)anilino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55614160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).