2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide

C23H30N2O2 — CID 121413987

IUPAC2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C23H30N2O2/c1-4-25(16-15-18-11-8-14-21(24-18)23(2,3)27)22(26)20-13-6-5-12-19(20)17-9-7-10-17/h5-6,8,11-14,17,27H,4,7,9-10,15-16H2,1-3H3
InChIKeyNCLJAZSNKAWQFW-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.28
Rot. Bonds7

About 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide

2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (PubChem CID 121413987) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
PubChem CID121413987
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CCC1
InChIInChI=1S/C23H30N2O2/c1-4-25(16-15-18-11-8-14-21(24-18)23(2,3)27)22(26)20-13-6-5-12-19(20)17-9-7-10-17/h5-6,8,11-14,17,27H,4,7,9-10,15-16H2,1-3H3
InChIKeyNCLJAZSNKAWQFW-UHFFFAOYSA-N
XLogP4.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
CID 121413896
2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
CID 121440247
1-(2-cyclobutylphenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 114601958
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
2-cyclobutyl-N-[[6-(hydroxymethyl)-2-pyridinyl]methyl]benzamide
CID 138023338
2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide
CID 121416907
ethyl 2-cyclobutylbenzoate
CID 106942755
2-cyclopropyl-N,N-dimethylbenzamide
CID 144712792
2-amino-1-(2-cyclobutylphenyl)butan-1-one
CID 114607633
1-(2-cyclobutylphenyl)-3,4,4-trimethylpentan-1-one
CID 115813607
methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate
CID 121315721
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-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (CID 121413987) is 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is NCLJAZSNKAWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-25(16-15-18-11-8-14-21(24-18)23(2,3)27)22(26)20-13-6-5-12-19(20)17-9-7-10-17/h5-6,8,11-14,17,27H,4,7,9-10,15-16H2,1-3H3.
What are the key properties of 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 121413987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).