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

C15H24N2O2 — CID 103707998

IUPACN-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(C)(C)CCO)cc1
InChIInChI=1S/C15H24N2O2/c1-12(19)17-14-6-4-13(5-7-14)10-16-11-15(2,3)8-9-18/h4-7,16,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyVKOMZUNFKBJLSZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds7

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

N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide (PubChem CID 103707998) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
PubChem CID103707998
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(C)(C)CCO)cc1
InChIInChI=1S/C15H24N2O2/c1-12(19)17-14-6-4-13(5-7-14)10-16-11-15(2,3)8-9-18/h4-7,16,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyVKOMZUNFKBJLSZ-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 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 ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide
CID 103768915
N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 111118557
2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 75441471
tert-butyl N-[4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]phenyl]carbamate
CID 107239514
N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide
CID 103702075
2-(4-acetamidophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869949
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]furan-2-carboxylic acid
CID 106143516
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
3-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzoic acid
CID 114150242
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
4-[[4-(azepan-1-yl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 111470651
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide (CID 103707998) is N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC(C)(C)CCO)cc1.
What is the InChIKey of N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide?
The InChIKey is VKOMZUNFKBJLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(19)17-14-6-4-13(5-7-14)10-16-11-15(2,3)8-9-18/h4-7,16,18H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide?
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 103707998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).