2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide

C15H24N2O2 — CID 82986749

IUPAC2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-6-17(10-14(18)16-4)9-13-7-11(2)15(19)12(3)8-13/h7-8,19H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyDEVSRZBUFVGPQT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds6

About 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide

2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide (PubChem CID 82986749) 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-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
PubChem CID82986749
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-6-17(10-14(18)16-4)9-13-7-11(2)15(19)12(3)8-13/h7-8,19H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKeyDEVSRZBUFVGPQT-UHFFFAOYSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
2-[(3-carbamothioylphenyl)methyl-propylamino]-N-methylacetamide
CID 54984391
4-(diethylaminomethyl)-2,6-dimethylphenol
CID 15576438
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80657671
2-[(4-cyano-2-methylphenyl)methyl-propylamino]-N-methylacetamide
CID 114481086
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80655767
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
N-methyl-2-[[2-(2-methylphenyl)-2-oxoethyl]-propylamino]acetamide
CID 62036541
2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 55046759
2-[(3-bromo-2-hydroxyphenyl)methyl-propylamino]-N-methylacetamide
CID 82986387
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol
CID 102999125
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide (CID 82986749) is 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1cc(C)c(O)c(C)c1.
What is the InChIKey of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide?
The InChIKey is DEVSRZBUFVGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-6-17(10-14(18)16-4)9-13-7-11(2)15(19)12(3)8-13/h7-8,19H,5-6,9-10H2,1-4H3,(H,16,18).
What are the key properties of 2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide?
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.97, 6 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-propylamino]-N-methylacetamide is sourced from PubChem (CID 82986749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).