(3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide

C16H25NO2 — CID 145030523

IUPAC(3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide
SMILESCCC(C)(C)NC(=O)C(O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-16(3,4)17-15(19)14(18)12(2)11-13-9-7-6-8-10-13/h6-10,12,14,18H,5,11H2,1-4H3,(H,17,19)/t12-,14?/m0/s1
InChIKeyRTHFOFYZDDMGQL-NBFOIZRFSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds6

About (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide

(3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide (PubChem CID 145030523) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide
PubChem CID145030523
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide
SMILESCCC(C)(C)NC(=O)C(O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-16(3,4)17-15(19)14(18)12(2)11-13-9-7-6-8-10-13/h6-10,12,14,18H,5,11H2,1-4H3,(H,17,19)/t12-,14?/m0/s1
InChIKeyRTHFOFYZDDMGQL-NBFOIZRFSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide?
The IUPAC name of (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide (CID 145030523) is (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide?
The canonical SMILES for (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide is CCC(C)(C)NC(=O)C(O)[C@@H](C)Cc1ccccc1.
What is the InChIKey of (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide?
The InChIKey is RTHFOFYZDDMGQL-NBFOIZRFSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-16(3,4)17-15(19)14(18)12(2)11-13-9-7-6-8-10-13/h6-10,12,14,18H,5,11H2,1-4H3,(H,17,19)/t12-,14?/m0/s1.
What are the key properties of (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide?
(3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-hydroxy-3-methyl-N-(2-methylbutan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 145030523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).