N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide

C20H30N4O2 — CID 121440215

IUPACN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide
SMILESCCCc1ccccc1C(=O)N(CC)CCn1nc(C)c(C(C)(C)O)n1
InChIInChI=1S/C20H30N4O2/c1-6-10-16-11-8-9-12-17(16)19(25)23(7-2)13-14-24-21-15(3)18(22-24)20(4,5)26/h8-9,11-12,26H,6-7,10,13-14H2,1-5H3
InChIKeyMXDSXUGCTPNELS-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.93
Rot. Bonds8

About N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide

N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide (PubChem CID 121440215) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide
PubChem CID121440215
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide
SMILESCCCc1ccccc1C(=O)N(CC)CCn1nc(C)c(C(C)(C)O)n1
InChIInChI=1S/C20H30N4O2/c1-6-10-16-11-8-9-12-17(16)19(25)23(7-2)13-14-24-21-15(3)18(22-24)20(4,5)26/h8-9,11-12,26H,6-7,10,13-14H2,1-5H3
InChIKeyMXDSXUGCTPNELS-UHFFFAOYSA-N
XLogP2.93
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide?
The IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide (CID 121440215) is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide is CCCc1ccccc1C(=O)N(CC)CCn1nc(C)c(C(C)(C)O)n1.
What is the InChIKey of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide?
The InChIKey is MXDSXUGCTPNELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-10-16-11-8-9-12-17(16)19(25)23(7-2)13-14-24-21-15(3)18(22-24)20(4,5)26/h8-9,11-12,26H,6-7,10,13-14H2,1-5H3.
What are the key properties of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide?
N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide has a molecular weight of 358.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-propylbenzamide is sourced from PubChem (CID 121440215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).