(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide

C16H24N2O4 — CID 25170713

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-16(2,11-19)14(21)15(22)18-10-13(20)17-9-8-12-6-4-3-5-7-12/h3-7,14,19,21H,8-11H2,1-2H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyPRIPKKMEWWMHOH-AWEZNQCLSA-N
MW308.38 g/mol
LogP-0.16
Rot. Bonds8

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide (PubChem CID 25170713) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide
PubChem CID25170713
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O4/c1-16(2,11-19)14(21)15(22)18-10-13(20)17-9-8-12-6-4-3-5-7-12/h3-7,14,19,21H,8-11H2,1-2H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyPRIPKKMEWWMHOH-AWEZNQCLSA-N
XLogP-0.16
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide (CID 25170713) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide is CC(C)(CO)[C@@H](O)C(=O)NCC(=O)NCCc1ccccc1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide?
The InChIKey is PRIPKKMEWWMHOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,11-19)14(21)15(22)18-10-13(20)17-9-8-12-6-4-3-5-7-12/h3-7,14,19,21H,8-11H2,1-2H3,(H,17,20)(H,18,22)/t14-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide has a molecular weight of 308.38 g/mol, XLogP of -0.16, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide is sourced from PubChem (CID 25170713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).