(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide

C16H30N2O4 — CID 6605553

IUPAC(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](CC(=O)N[C@H](C)CO)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-6-7-12(8-14(21)17-11(2)9-19)15(22)18-13(10-20)16(3,4)5/h6,11-13,19-20H,1,7-10H2,2-5H3,(H,17,21)(H,18,22)/t11-,12-,13-/m1/s1
InChIKeyUSNWQAUUSAOXQP-JHJVBQTASA-N
MW314.43 g/mol
LogP0.59
Rot. Bonds9

About (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide

(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide (PubChem CID 6605553) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
PubChem CID6605553
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](CC(=O)N[C@H](C)CO)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-6-7-12(8-14(21)17-11(2)9-19)15(22)18-13(10-20)16(3,4)5/h6,11-13,19-20H,1,7-10H2,2-5H3,(H,17,21)(H,18,22)/t11-,12-,13-/m1/s1
InChIKeyUSNWQAUUSAOXQP-JHJVBQTASA-N
XLogP0.59
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
The IUPAC name of (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide (CID 6605553) is (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide.
What is the SMILES notation for (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
The canonical SMILES for (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide is C=CC[C@H](CC(=O)N[C@H](C)CO)C(=O)N[C@H](CO)C(C)(C)C.
What is the InChIKey of (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
The InChIKey is USNWQAUUSAOXQP-JHJVBQTASA-N. The full InChI is InChI=1S/C16H30N2O4/c1-6-7-12(8-14(21)17-11(2)9-19)15(22)18-13(10-20)16(3,4)5/h6,11-13,19-20H,1,7-10H2,2-5H3,(H,17,21)(H,18,22)/t11-,12-,13-/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide has a molecular weight of 314.43 g/mol, XLogP of 0.59, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide is sourced from PubChem (CID 6605553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).