(3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide

C15H23NO2 — CID 164680470

IUPAC(3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)C[C@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(18)10-14(17)13-8-6-5-7-9-13/h5-9,11-12,14,17H,10H2,1-4H3/t14-/m0/s1
InChIKeyLKYUVKLAKVSRHJ-AWEZNQCLSA-N
MW249.35 g/mol
LogP2.76
Rot. Bonds5

About (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide

(3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide (PubChem CID 164680470) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide
PubChem CID164680470
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)C[C@H](O)c1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(18)10-14(17)13-8-6-5-7-9-13/h5-9,11-12,14,17H,10H2,1-4H3/t14-/m0/s1
InChIKeyLKYUVKLAKVSRHJ-AWEZNQCLSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide (CID 164680470) is (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)C[C@H](O)c1ccccc1)C(C)C.
What is the InChIKey of (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is LKYUVKLAKVSRHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)16(12(3)4)15(18)10-14(17)13-8-6-5-7-9-13/h5-9,11-12,14,17H,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide?
(3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 164680470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).