N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C21H25N3O2 — CID 124949037

IUPACN-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCc1ccnc([C@H]2CCCO2)n1
InChIInChI=1S/C21H25N3O2/c25-20(13-15-7-8-16-4-1-2-5-17(16)12-15)23-14-18-9-10-22-21(24-18)19-6-3-11-26-19/h7-10,12,19H,1-6,11,13-14H2,(H,23,25)/t19-/m1/s1
InChIKeyCRAUCPXWWQJENU-LJQANCHMSA-N
MW351.45 g/mol
LogP3.07
Rot. Bonds5

About N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 124949037) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID124949037
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCc1ccnc([C@H]2CCCO2)n1
InChIInChI=1S/C21H25N3O2/c25-20(13-15-7-8-16-4-1-2-5-17(16)12-15)23-14-18-9-10-22-21(24-18)19-6-3-11-26-19/h7-10,12,19H,1-6,11,13-14H2,(H,23,25)/t19-/m1/s1
InChIKeyCRAUCPXWWQJENU-LJQANCHMSA-N
XLogP3.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 124949037) is N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is O=C(Cc1ccc2c(c1)CCCC2)NCc1ccnc([C@H]2CCCO2)n1.
What is the InChIKey of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is CRAUCPXWWQJENU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(13-15-7-8-16-4-1-2-5-17(16)12-15)23-14-18-9-10-22-21(24-18)19-6-3-11-26-19/h7-10,12,19H,1-6,11,13-14H2,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 124949037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).