4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide

C15H24N2O2 — CID 65106116

IUPAC4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
SMILESCCC(C)(O)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-15(2,19)11-17-14(18)10-9-13(16)12-7-5-4-6-8-12/h4-8,13,19H,3,9-11,16H2,1-2H3,(H,17,18)
InChIKeyYGBBBHQOUZGKKZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.74
Rot. Bonds7

About 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide

4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide (PubChem CID 65106116) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
PubChem CID65106116
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
SMILESCCC(C)(O)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-15(2,19)11-17-14(18)10-9-13(16)12-7-5-4-6-8-12/h4-8,13,19H,3,9-11,16H2,1-2H3,(H,17,18)
InChIKeyYGBBBHQOUZGKKZ-UHFFFAOYSA-N
XLogP1.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-4-phenylbutanamide
CID 106148257
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide (CID 65106116) is 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide is CCC(C)(O)CNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide?
The InChIKey is YGBBBHQOUZGKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-15(2,19)11-17-14(18)10-9-13(16)12-7-5-4-6-8-12/h4-8,13,19H,3,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide?
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide is sourced from PubChem (CID 65106116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).