4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide

C17H28N2O2 — CID 106148257

IUPAC4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide
SMILESCC(C)(CCCO)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,11-6-12-20)13-19-16(21)10-9-15(18)14-7-4-3-5-8-14/h3-5,7-8,15,20H,6,9-13,18H2,1-2H3,(H,19,21)
InChIKeyMSYWXJPESHXNGS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.38
Rot. Bonds9

About 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide (PubChem CID 106148257) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide
PubChem CID106148257
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide
SMILESCC(C)(CCCO)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,11-6-12-20)13-19-16(21)10-9-15(18)14-7-4-3-5-8-14/h3-5,7-8,15,20H,6,9-13,18H2,1-2H3,(H,19,21)
InChIKeyMSYWXJPESHXNGS-UHFFFAOYSA-N
XLogP2.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116
2-anilino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148276
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide (CID 106148257) is 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide is CC(C)(CCCO)CNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide?
The InChIKey is MSYWXJPESHXNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,11-6-12-20)13-19-16(21)10-9-15(18)14-7-4-3-5-8-14/h3-5,7-8,15,20H,6,9-13,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide?
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide has a molecular weight of 292.42 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide is sourced from PubChem (CID 106148257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).