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

C22H32N4O2 — CID 121416853

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide
SMILESCCCc1ccccc1C(=O)N(CC)CCN(C)c1nccc(C(C)(C)O)n1
InChIInChI=1S/C22H32N4O2/c1-6-10-17-11-8-9-12-18(17)20(27)26(7-2)16-15-25(5)21-23-14-13-19(24-21)22(3,4)28/h8-9,11-14,28H,6-7,10,15-16H2,1-5H3
InChIKeyJBMBCLVPWFNBPO-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.26
Rot. Bonds9

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

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide (PubChem CID 121416853) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide
PubChem CID121416853
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide
SMILESCCCc1ccccc1C(=O)N(CC)CCN(C)c1nccc(C(C)(C)O)n1
InChIInChI=1S/C22H32N4O2/c1-6-10-17-11-8-9-12-18(17)20(27)26(7-2)16-15-25(5)21-23-14-13-19(24-21)22(3,4)28/h8-9,11-14,28H,6-7,10,15-16H2,1-5H3
InChIKeyJBMBCLVPWFNBPO-UHFFFAOYSA-N
XLogP3.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.26
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)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide (CID 121416853) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide is CCCc1ccccc1C(=O)N(CC)CCN(C)c1nccc(C(C)(C)O)n1.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide?
The InChIKey is JBMBCLVPWFNBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-6-10-17-11-8-9-12-18(17)20(27)26(7-2)16-15-25(5)21-23-14-13-19(24-21)22(3,4)28/h8-9,11-14,28H,6-7,10,15-16H2,1-5H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide has a molecular weight of 384.52 g/mol, XLogP of 3.26, 9 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)pyrimidin-2-yl]-methylamino]ethyl]-2-propylbenzamide is sourced from PubChem (CID 121416853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).