2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide

C15H24N2O2 — CID 78913304

IUPAC2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCc1cc(CN(C)CC(=O)NC(C)C)cc(C)c1O
InChIInChI=1S/C15H24N2O2/c1-10(2)16-14(18)9-17(5)8-13-6-11(3)15(19)12(4)7-13/h6-7,10,19H,8-9H2,1-5H3,(H,16,18)
InChIKeyARCKRIKRKJUQBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide

2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 78913304) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID78913304
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCc1cc(CN(C)CC(=O)NC(C)C)cc(C)c1O
InChIInChI=1S/C15H24N2O2/c1-10(2)16-14(18)9-17(5)8-13-6-11(3)15(19)12(4)7-13/h6-7,10,19H,8-9H2,1-5H3,(H,16,18)
InChIKeyARCKRIKRKJUQBX-UHFFFAOYSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2,6-dimethyl-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977801
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 54940692
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65338614
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 55004984

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide (CID 78913304) is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide is Cc1cc(CN(C)CC(=O)NC(C)C)cc(C)c1O.
What is the InChIKey of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is ARCKRIKRKJUQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)16-14(18)9-17(5)8-13-6-11(3)15(19)12(4)7-13/h6-7,10,19H,8-9H2,1-5H3,(H,16,18).
What are the key properties of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 78913304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).