N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide

C16H25NO2 — CID 103772501

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)(C)CCO)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-14(13-8-6-5-7-9-13)15(19)17-12-16(2,3)10-11-18/h5-9,14,18H,4,10-12H2,1-3H3,(H,17,19)
InChIKeyVIRFAHASSLSFJG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide (PubChem CID 103772501) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
PubChem CID103772501
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)(C)CCO)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-4-14(13-8-6-5-7-9-13)15(19)17-12-16(2,3)10-11-18/h5-9,14,18H,4,10-12H2,1-3H3,(H,17,19)
InChIKeyVIRFAHASSLSFJG-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide
CID 106144537
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
CID 103681477
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide
CID 95626525
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
2-anilino-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106148046
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-hydroxyphenyl)acetamide
CID 103772553
N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
CID 106164437

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide (CID 103772501) is N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide is CCC(C(=O)NCC(C)(C)CCO)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide?
The InChIKey is VIRFAHASSLSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-14(13-8-6-5-7-9-13)15(19)17-12-16(2,3)10-11-18/h5-9,14,18H,4,10-12H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide is sourced from PubChem (CID 103772501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).