2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide

C15H24N2O2 — CID 112553556

IUPAC2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cccc(C)c1O
InChIInChI=1S/C15H24N2O2/c1-5-9-17(11-14(18)16(3)4)10-13-8-6-7-12(2)15(13)19/h6-8,19H,5,9-11H2,1-4H3
InChIKeyVZBBULUGYWAJRI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.00
Rot. Bonds6

About 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide

2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 112553556) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
PubChem CID112553556
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cccc(C)c1O
InChIInChI=1S/C15H24N2O2/c1-5-9-17(11-14(18)16(3)4)10-13-8-6-7-12(2)15(13)19/h6-8,19H,5,9-11H2,1-4H3
InChIKeyVZBBULUGYWAJRI-UHFFFAOYSA-N
XLogP2.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
CID 37336
2-((Dimethylamino)methyl)phenol
CID 32897
2-(diethylaminomethyl)-4-[(E)-4-[3-(diethylaminomethyl)-4-hydroxyphenyl]hex-3-en-3-yl]phenol
CID 5473838
Glycine, N-((2-hydroxy-5-nonylphenyl)methyl)-N-methyl-, sodium salt (1:1)
CID 23692775
2,2'-[(Methylimino)dimethanediyl]bis(4-methylphenol)
CID 257442
2-((Diethylamino)methyl)phenol
CID 21092
2-[(dimethylamino)methyl]-4-[(E)-2-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethenyl]phenol
CID 46240709
2-[(dimethylamino)methyl]-4-[(E)-3-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]but-2-en-2-yl]phenol
CID 46241427
2,4-Bis((dimethylamino)methyl)phenol
CID 79473
Phenol, 4-methyl-2-(1-piperidinylmethyl)-
CID 88833
o-Cresol, alpha-(dimethylamino)-4-ethyl-
CID 41672

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide (CID 112553556) is 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1cccc(C)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is VZBBULUGYWAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-9-17(11-14(18)16(3)4)10-13-8-6-7-12(2)15(13)19/h6-8,19H,5,9-11H2,1-4H3.
What are the key properties of 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide?
2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 112553556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).