N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide

C15H24N2O2 — CID 111118557

IUPACN-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(C)(O)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)15(4,19)10-16-9-13-5-7-14(8-6-13)17-12(3)18/h5-8,11,16,19H,9-10H2,1-4H3,(H,17,18)
InChIKeyRNNRXBYTGBGXCI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds6

About N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide

N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide (PubChem CID 111118557) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
PubChem CID111118557
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(C)(O)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)15(4,19)10-16-9-13-5-7-14(8-6-13)17-12(3)18/h5-8,11,16,19H,9-10H2,1-4H3,(H,17,18)
InChIKeyRNNRXBYTGBGXCI-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 115978599
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 103707998
N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide
CID 103702075
N-[4-[(2-cyanopropylamino)methyl]phenyl]acetamide
CID 55101214
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide (CID 111118557) is N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC(C)(O)C(C)C)cc1.
What is the InChIKey of N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide?
The InChIKey is RNNRXBYTGBGXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)15(4,19)10-16-9-13-5-7-14(8-6-13)17-12(3)18/h5-8,11,16,19H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide?
N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 111118557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).