(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide

C17H25NO4 — CID 68521140

IUPAC(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](O)C(=O)N[C@@H](CCc1ccccc1)C1OCCO1
InChIInChI=1S/C17H25NO4/c1-12(2)15(19)16(20)18-14(17-21-10-11-22-17)9-8-13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyRPEAEGXOIDQXOO-GJZGRUSLSA-N
MW307.39 g/mol
LogP1.49
Rot. Bonds7

About (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide

(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide (PubChem CID 68521140) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide
PubChem CID68521140
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](O)C(=O)N[C@@H](CCc1ccccc1)C1OCCO1
InChIInChI=1S/C17H25NO4/c1-12(2)15(19)16(20)18-14(17-21-10-11-22-17)9-8-13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyRPEAEGXOIDQXOO-GJZGRUSLSA-N
XLogP1.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide (CID 68521140) is (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide is CC(C)[C@H](O)C(=O)N[C@@H](CCc1ccccc1)C1OCCO1.
What is the InChIKey of (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide?
The InChIKey is RPEAEGXOIDQXOO-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(2)15(19)16(20)18-14(17-21-10-11-22-17)9-8-13-6-4-3-5-7-13/h3-7,12,14-15,17,19H,8-11H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide?
(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide has a molecular weight of 307.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 68521140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).