N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide

C14H18N4O2 — CID 75484568

IUPACN-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide
SMILESCOCCC(C)NC(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C14H18N4O2/c1-11(7-10-20-2)16-14(19)12-5-3-4-6-13(12)18-9-8-15-17-18/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,19)
InChIKeyZWEXMKNZCQYZGB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds6

About N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide

N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide (PubChem CID 75484568) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide
PubChem CID75484568
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide
SMILESCOCCC(C)NC(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C14H18N4O2/c1-11(7-10-20-2)16-14(19)12-5-3-4-6-13(12)18-9-8-15-17-18/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,19)
InChIKeyZWEXMKNZCQYZGB-UHFFFAOYSA-N
XLogP1.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide
CID 122140618
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
CID 81083065
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide
CID 86788144
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
1-chloro-N-(4-methoxybutan-2-yl)isoquinoline-4-carboxamide
CID 106766226
N-(1-methylsulfonylpropan-2-yl)-2-(triazol-1-yl)aniline
CID 64630327
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide (CID 75484568) is N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide is COCCC(C)NC(=O)c1ccccc1-n1ccnn1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide?
The InChIKey is ZWEXMKNZCQYZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(7-10-20-2)16-14(19)12-5-3-4-6-13(12)18-9-8-15-17-18/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,19).
What are the key properties of N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide?
N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2-(triazol-1-yl)benzamide is sourced from PubChem (CID 75484568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).