(2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H33N3O2 — CID 96541197

IUPAC(2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC(C)(C)[C@@H]1CCCCO1
InChIInChI=1S/C19H33N3O2/c1-13(11-16-14(2)21-22(6)15(16)3)18(23)20-12-19(4,5)17-9-7-8-10-24-17/h13,17H,7-12H2,1-6H3,(H,20,23)/t13-,17+/m1/s1
InChIKeyIGSXMUPFIVZILE-DYVFJYSZSA-N
MW335.49 g/mol
LogP2.93
Rot. Bonds6

About (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 96541197) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID96541197
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC(C)(C)[C@@H]1CCCCO1
InChIInChI=1S/C19H33N3O2/c1-13(11-16-14(2)21-22(6)15(16)3)18(23)20-12-19(4,5)17-9-7-8-10-24-17/h13,17H,7-12H2,1-6H3,(H,20,23)/t13-,17+/m1/s1
InChIKeyIGSXMUPFIVZILE-DYVFJYSZSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 96541197) is (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC(C)(C)[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IGSXMUPFIVZILE-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-13(11-16-14(2)21-22(6)15(16)3)18(23)20-12-19(4,5)17-9-7-8-10-24-17/h13,17H,7-12H2,1-6H3,(H,20,23)/t13-,17+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 335.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[2-methyl-2-[(2S)-oxan-2-yl]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 96541197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).