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

C23H31N3O2 — CID 121416814

IUPAC2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C23H31N3O2/c1-5-26(22(27)19-10-7-6-9-18(19)17-13-14-17)16-15-25(4)21-12-8-11-20(24-21)23(2,3)28/h6-12,17,28H,5,13-16H2,1-4H3
InChIKeyJORIDSPEJHMTAF-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.78
Rot. Bonds8

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

2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide (PubChem CID 121416814) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide
PubChem CID121416814
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C23H31N3O2/c1-5-26(22(27)19-10-7-6-9-18(19)17-13-14-17)16-15-25(4)21-12-8-11-20(24-21)23(2,3)28/h6-12,17,28H,5,13-16H2,1-4H3
InChIKeyJORIDSPEJHMTAF-UHFFFAOYSA-N
XLogP3.78
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide (CID 121416814) is 2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide is CCN(CCN(C)c1cccc(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]-methylamino]ethyl]benzamide?
The InChIKey is JORIDSPEJHMTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-26(22(27)19-10-7-6-9-18(19)17-13-14-17)16-15-25(4)21-12-8-11-20(24-21)23(2,3)28/h6-12,17,28H,5,13-16H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide?
2-cyclopropyl-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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]-methylamino]ethyl]benzamide is sourced from PubChem (CID 121416814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).