N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide

C15H23NO2 — CID 115162843

IUPACN-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCN(C(=O)CCCO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)12-7-9-13(10-8-12)16(4)14(18)6-5-11-17/h7-10,17H,5-6,11H2,1-4H3
InChIKeyMZVHZMNGNQEAMF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.72
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide

N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 115162843) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
PubChem CID115162843
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCN(C(=O)CCCO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)12-7-9-13(10-8-12)16(4)14(18)6-5-11-17/h7-10,17H,5-6,11H2,1-4H3
InChIKeyMZVHZMNGNQEAMF-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601
methyl 3-(4-tert-butyl-N-methylanilino)-3-oxopropanoate
CID 115174195
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
CID 115193365
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162888
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119746815
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590068

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide (CID 115162843) is N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide is CN(C(=O)CCCO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is MZVHZMNGNQEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)12-7-9-13(10-8-12)16(4)14(18)6-5-11-17/h7-10,17H,5-6,11H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide?
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 115162843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).