3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide

C20H21N5O2 — CID 129154966

IUPAC3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H21N5O2/c1-4-19(26)14(3)22-20(27)17-9-16(15-7-5-13(2)6-8-15)10-18(11-17)25-12-21-23-24-25/h5-12,14H,4H2,1-3H3,(H,22,27)
InChIKeyRZBCAIJYMJJKIE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.74
Rot. Bonds6

About 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide

3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide (PubChem CID 129154966) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
PubChem CID129154966
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCCC(=O)C(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C20H21N5O2/c1-4-19(26)14(3)22-20(27)17-9-16(15-7-5-13(2)6-8-15)10-18(11-17)25-12-21-23-24-25/h5-12,14H,4H2,1-3H3,(H,22,27)
InChIKeyRZBCAIJYMJJKIE-UHFFFAOYSA-N
XLogP2.74
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
N-[1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76643004
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
CID 143820171
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 122640774
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
CID 91351854
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(5-ethyltetrazol-1-yl)-5-(4-methylphenyl)benzamide
CID 91341752
3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 76643026

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide (CID 129154966) is 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide is CCC(=O)C(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is RZBCAIJYMJJKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-4-19(26)14(3)22-20(27)17-9-16(15-7-5-13(2)6-8-15)10-18(11-17)25-12-21-23-24-25/h5-12,14H,4H2,1-3H3,(H,22,27).
What are the key properties of 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide?
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 129154966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).