2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide

C22H28N2O2 — CID 121413966

IUPAC2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C22H28N2O2/c1-4-24(14-13-18-12-11-17(15-23-18)22(2,3)26)21(25)20-8-6-5-7-19(20)16-9-10-16/h5-8,11-12,15-16,26H,4,9-10,13-14H2,1-3H3
InChIKeyUXIHNKZMGBITRV-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.89
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide

2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (PubChem CID 121413966) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
PubChem CID121413966
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C22H28N2O2/c1-4-24(14-13-18-12-11-17(15-23-18)22(2,3)26)21(25)20-8-6-5-7-19(20)16-9-10-16/h5-8,11-12,15-16,26H,4,9-10,13-14H2,1-3H3
InChIKeyUXIHNKZMGBITRV-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide (CID 121413966) is 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is CCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is UXIHNKZMGBITRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-24(14-13-18-12-11-17(15-23-18)22(2,3)26)21(25)20-8-6-5-7-19(20)16-9-10-16/h5-8,11-12,15-16,26H,4,9-10,13-14H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide?
2-cyclopropyl-N-ethyl-N-[2-[5-(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-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 121413966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).