(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide

C14H23N3O2 — CID 97191226

IUPAC(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NC1CCOCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-15-6-7-17(13)11(3)14(18)16-12-4-8-19-9-5-12/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyMSKVKBWMBRNHNZ-NSHDSACASA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds4

About (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide

(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 97191226) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID97191226
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@@H](C)C(=O)NC1CCOCC1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-15-6-7-17(13)11(3)14(18)16-12-4-8-19-9-5-12/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyMSKVKBWMBRNHNZ-NSHDSACASA-N
XLogP1.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 97191226) is (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1[C@@H](C)C(=O)NC1CCOCC1.
What is the InChIKey of (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is MSKVKBWMBRNHNZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)13-15-6-7-17(13)11(3)14(18)16-12-4-8-19-9-5-12/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide?
(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 97191226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).