3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide

C13H19NO2 — CID 102147663

IUPAC3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
SMILESCN(C)C(=O)CC(C)(O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(16,10-12(15)14(2)3)9-11-7-5-4-6-8-11/h4-8,16H,9-10H2,1-3H3
InChIKeyLNXAJMSRKTYBEG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.46
Rot. Bonds4

About 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide

3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide (PubChem CID 102147663) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
PubChem CID102147663
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
SMILESCN(C)C(=O)CC(C)(O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(16,10-12(15)14(2)3)9-11-7-5-4-6-8-11/h4-8,16H,9-10H2,1-3H3
InChIKeyLNXAJMSRKTYBEG-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
2,2-dichloroacetic acid;2-methyl-1-phenylbutan-2-ol
CID 174708997
azane;ethyl 2-(dimethylamino)-2-methyl-3-phenylpropanoate;hydroiodide
CID 174880541
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
4-(4-bromophenyl)-3-hydroxy-3-methylbutanoic acid
CID 82488625

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide?
The IUPAC name of 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide (CID 102147663) is 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide is CN(C)C(=O)CC(C)(O)Cc1ccccc1.
What is the InChIKey of 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide?
The InChIKey is LNXAJMSRKTYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(16,10-12(15)14(2)3)9-11-7-5-4-6-8-11/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide?
3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide is sourced from PubChem (CID 102147663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).