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

C22H28N2O2 — CID 121413906

IUPAC2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C22H28N2O2/c1-4-24(15-14-17-8-7-11-20(23-17)22(2,3)26)21(25)19-10-6-5-9-18(19)16-12-13-16/h5-11,16,26H,4,12-15H2,1-3H3
InChIKeyRDJOTRGCXPIJKE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.89
Rot. Bonds7

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

2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (PubChem CID 121413906) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
PubChem CID121413906
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C22H28N2O2/c1-4-24(15-14-17-8-7-11-20(23-17)22(2,3)26)21(25)19-10-6-5-9-18(19)16-12-13-16/h5-11,16,26H,4,12-15H2,1-3H3
InChIKeyRDJOTRGCXPIJKE-UHFFFAOYSA-N
XLogP3.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58536923
CID 58536923
CID 71105700
CID 71105700
CID 88055596
CID 88055596
CID 121413959
CID 121413959
CID 121413976
CID 121413976
CID 121413994
CID 121413994
CID 121413995
CID 121413995
CID 121416808
CID 121416808
CID 121427875
CID 121427875

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (CID 121413906) is 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is RDJOTRGCXPIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-24(15-14-17-8-7-11-20(23-17)22(2,3)26)21(25)19-10-6-5-9-18(19)16-12-13-16/h5-11,16,26H,4,12-15H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 121413906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).