N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide

C23H31N3O2 — CID 121414006

IUPACN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1N1CCCC1
InChIInChI=1S/C23H31N3O2/c1-4-25(16-13-19-12-11-18(17-24-19)23(2,3)28)22(27)20-9-5-6-10-21(20)26-14-7-8-15-26/h5-6,9-12,17,28H,4,7-8,13-16H2,1-3H3
InChIKeyWYRZXDFFJDVCOF-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.61
Rot. Bonds7

About N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 121414006) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID121414006
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1N1CCCC1
InChIInChI=1S/C23H31N3O2/c1-4-25(16-13-19-12-11-18(17-24-19)23(2,3)28)22(27)20-9-5-6-10-21(20)26-14-7-8-15-26/h5-6,9-12,17,28H,4,7-8,13-16H2,1-3H3
InChIKeyWYRZXDFFJDVCOF-UHFFFAOYSA-N
XLogP3.61
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide (CID 121414006) is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide is CCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1N1CCCC1.
What is the InChIKey of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is WYRZXDFFJDVCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-25(16-13-19-12-11-18(17-24-19)23(2,3)28)22(27)20-9-5-6-10-21(20)26-14-7-8-15-26/h5-6,9-12,17,28H,4,7-8,13-16H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide?
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 121414006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).