3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

C15H20N4O — CID 121176822

IUPAC3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(Cn2nccn2)C(C)C)c1
InChIInChI=1S/C15H20N4O/c1-11(2)14(10-19-16-7-8-17-19)18-15(20)13-6-4-5-12(3)9-13/h4-9,11,14H,10H2,1-3H3,(H,18,20)
InChIKeyTUROWOIWFKEEAP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds5

About 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (PubChem CID 121176822) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
PubChem CID121176822
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(Cn2nccn2)C(C)C)c1
InChIInChI=1S/C15H20N4O/c1-11(2)14(10-19-16-7-8-17-19)18-15(20)13-6-4-5-12(3)9-13/h4-9,11,14H,10H2,1-3H3,(H,18,20)
InChIKeyTUROWOIWFKEEAP-UHFFFAOYSA-N
XLogP2.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658
N-(1-chloro-3-methylbutan-2-yl)-3-methylbenzamide
CID 114305541
2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176641
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
CID 129416978
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
methyl 2-[[3-methyl-1-(triazol-2-yl)butan-2-yl]carbamoyl]benzoate
CID 121176789
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
3-methoxy-2-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]indazole-6-carboxamide
CID 121176734
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (CID 121176822) is 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is Cc1cccc(C(=O)NC(Cn2nccn2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The InChIKey is TUROWOIWFKEEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)14(10-19-16-7-8-17-19)18-15(20)13-6-4-5-12(3)9-13/h4-9,11,14H,10H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 121176822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).