2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide

C21H30N4O2 — CID 121440247

IUPAC2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C21H30N4O2/c1-5-24(13-14-25-22-15(2)19(23-25)21(3,4)27)20(26)18-12-7-6-11-17(18)16-9-8-10-16/h6-7,11-12,16,27H,5,8-10,13-14H2,1-4H3
InChIKeyYALYUHDVEKKLJS-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.24
Rot. Bonds7

About 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide

2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide (PubChem CID 121440247) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
PubChem CID121440247
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C21H30N4O2/c1-5-24(13-14-25-22-15(2)19(23-25)21(3,4)27)20(26)18-12-7-6-11-17(18)16-9-8-10-16/h6-7,11-12,16,27H,5,8-10,13-14H2,1-4H3
InChIKeyYALYUHDVEKKLJS-UHFFFAOYSA-N
XLogP3.24
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
CID 121440222
2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
CID 121413987
N,3-diethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide
CID 162576010
1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601958
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
ethyl 2-cyclobutylbenzoate
CID 106942755
2-cyclopropyl-N,N-dimethylbenzamide
CID 144712792
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
2-amino-1-(2-cyclobutylphenyl)butan-1-one
CID 114607633
1-(2-cyclobutylphenyl)-3,4,4-trimethylpentan-1-one
CID 115813607
(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 121412847
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide (CID 121440247) is 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide is CCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The InChIKey is YALYUHDVEKKLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-24(13-14-25-22-15(2)19(23-25)21(3,4)27)20(26)18-12-7-6-11-17(18)16-9-8-10-16/h6-7,11-12,16,27H,5,8-10,13-14H2,1-4H3.
What are the key properties of 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide has a molecular weight of 370.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 121440247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).