2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide

C19H26N4O2 — CID 121437552

IUPAC2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1ncc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C19H26N4O2/c1-4-22(11-12-23-20-13-17(21-23)19(2,3)25)18(24)16-8-6-5-7-15(16)14-9-10-14/h5-8,13-14,25H,4,9-12H2,1-3H3
InChIKeyCMUQVJKBXPDWGE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.55
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide

2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide (PubChem CID 121437552) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide
PubChem CID121437552
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1ncc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C19H26N4O2/c1-4-22(11-12-23-20-13-17(21-23)19(2,3)25)18(24)16-8-6-5-7-15(16)14-9-10-14/h5-8,13-14,25H,4,9-12H2,1-3H3
InChIKeyCMUQVJKBXPDWGE-UHFFFAOYSA-N
XLogP2.55
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide (CID 121437552) is 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide is CCN(CCn1ncc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide?
The InChIKey is CMUQVJKBXPDWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-22(11-12-23-20-13-17(21-23)19(2,3)25)18(24)16-8-6-5-7-15(16)14-9-10-14/h5-8,13-14,25H,4,9-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide?
2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)triazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 121437552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).