(2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide

C16H27N3O2 — CID 164636794

IUPAC(2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide
SMILESCOCC1(CNC(=O)[C@H](C)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(14-9-18-19(2)10-14)15(20)17-11-16(12-21-3)7-5-4-6-8-16/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyCCLMZWAXXBRXLY-CYBMUJFWSA-N
MW293.41 g/mol
LogP2.24
Rot. Bonds6

About (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide

(2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide (PubChem CID 164636794) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide
PubChem CID164636794
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide
SMILESCOCC1(CNC(=O)[C@H](C)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(14-9-18-19(2)10-14)15(20)17-11-16(12-21-3)7-5-4-6-8-16/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyCCLMZWAXXBRXLY-CYBMUJFWSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide (CID 164636794) is (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide is COCC1(CNC(=O)[C@H](C)c2cnn(C)c2)CCCCC1.
What is the InChIKey of (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is CCLMZWAXXBRXLY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(14-9-18-19(2)10-14)15(20)17-11-16(12-21-3)7-5-4-6-8-16/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide?
(2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 164636794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).