N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide

C11H16N2O2 — CID 11735930

IUPACN-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)C)c(O)c1
InChIInChI=1S/C11H16N2O2/c1-8(14)12-10-5-4-9(7-13(2)3)11(15)6-10/h4-6,15H,7H2,1-3H3,(H,12,14)
InChIKeyLNVHTJNCAIZWSP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.41
Rot. Bonds3

About N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide

N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide (PubChem CID 11735930) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
PubChem CID11735930
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)C)c(O)c1
InChIInChI=1S/C11H16N2O2/c1-8(14)12-10-5-4-9(7-13(2)3)11(15)6-10/h4-6,15H,7H2,1-3H3,(H,12,14)
InChIKeyLNVHTJNCAIZWSP-UHFFFAOYSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
3-(4-acetamido-2-hydroxyphenyl)-2-aminopropanoic acid
CID 52933836
2-[(dimethylamino)methyl]-5-[(E)-2-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]ethenyl]phenol;dihydrochloride
CID 46240911
2-[(dimethylamino)methyl]-5-[2-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]ethenyl]phenol;dihydrochloride
CID 67426309
[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
CID 144820176
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-[3-hydroxy-4-(2-methylpropanoyl)phenyl]acetamide
CID 39334526
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196
N-(4-butanoyl-3-hydroxyphenyl)acetamide;N-(4-butyl-3-hydroxyphenyl)acetamide
CID 67641008
[2-[(dimethylamino)methyl]-5-(prop-2-enoylamino)phenyl]boronic acid
CID 46739539
N-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-3-hydroxyphenyl]acetamide
CID 30850442
N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide (CID 11735930) is N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(CN(C)C)c(O)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide?
The InChIKey is LNVHTJNCAIZWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)12-10-5-4-9(7-13(2)3)11(15)6-10/h4-6,15H,7H2,1-3H3,(H,12,14).
What are the key properties of N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide?
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide has a molecular weight of 208.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide is sourced from PubChem (CID 11735930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).