N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide

C16H25NO2 — CID 110021066

IUPACN-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
SMILESCCC(C)C(C)C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-12(2)13(3)15(18)17-11-16(4,19)14-9-7-6-8-10-14/h6-10,12-13,19H,5,11H2,1-4H3,(H,17,18)
InChIKeySOPJNLJXHORMKE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds6

About N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide

N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide (PubChem CID 110021066) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
PubChem CID110021066
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
SMILESCCC(C)C(C)C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-5-12(2)13(3)15(18)17-11-16(4,19)14-9-7-6-8-10-14/h6-10,12-13,19H,5,11H2,1-4H3,(H,17,18)
InChIKeySOPJNLJXHORMKE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
2-amino-3-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)pentanamide;hydrochloride
CID 119769283
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
2-(3-cyanophenoxy)-N-(2-hydroxy-2-phenylpropyl)propanamide
CID 111334999
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
CID 79789645
N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95368026
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide (CID 110021066) is N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide is CCC(C)C(C)C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide?
The InChIKey is SOPJNLJXHORMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-12(2)13(3)15(18)17-11-16(4,19)14-9-7-6-8-10-14/h6-10,12-13,19H,5,11H2,1-4H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide?
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide is sourced from PubChem (CID 110021066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).