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

C22H30N4O2 — CID 121416839

IUPAC2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C22H30N4O2/c1-5-26(20(27)18-9-7-6-8-17(18)16-10-11-16)15-14-25(4)21-23-13-12-19(24-21)22(2,3)28/h6-9,12-13,16,28H,5,10-11,14-15H2,1-4H3
InChIKeyKPVIGDZRTLDILG-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.18
Rot. Bonds8

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

2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide (PubChem CID 121416839) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide
PubChem CID121416839
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1
InChIInChI=1S/C22H30N4O2/c1-5-26(20(27)18-9-7-6-8-17(18)16-10-11-16)15-14-25(4)21-23-13-12-19(24-21)22(2,3)28/h6-9,12-13,16,28H,5,10-11,14-15H2,1-4H3
InChIKeyKPVIGDZRTLDILG-UHFFFAOYSA-N
XLogP3.18
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.18
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)pyrimidin-2-yl]-methylamino]ethyl]benzamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide (CID 121416839) is 2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide?
The InChIKey is KPVIGDZRTLDILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-5-26(20(27)18-9-7-6-8-17(18)16-10-11-16)15-14-25(4)21-23-13-12-19(24-21)22(2,3)28/h6-9,12-13,16,28H,5,10-11,14-15H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide?
2-cyclopropyl-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]benzamide has a molecular weight of 382.51 g/mol, XLogP of 3.18, 8 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)pyrimidin-2-yl]-methylamino]ethyl]benzamide is sourced from PubChem (CID 121416839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).