2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide

C13H20N2O2 — CID 79673031

IUPAC2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-13(17)9-15(3)8-11-5-4-6-12(16)7-11/h4-7,10,16H,8-9H2,1-3H3,(H,14,17)
InChIKeyMMSORFJGRFNSSM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.35
Rot. Bonds5

About 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide

2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 79673031) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID79673031
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-13(17)9-15(3)8-11-5-4-6-12(16)7-11/h4-7,10,16H,8-9H2,1-3H3,(H,14,17)
InChIKeyMMSORFJGRFNSSM-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 54940692
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79670313
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 60502342

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide (CID 79673031) is 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is MMSORFJGRFNSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)14-13(17)9-15(3)8-11-5-4-6-12(16)7-11/h4-7,10,16H,8-9H2,1-3H3,(H,14,17).
What are the key properties of 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79673031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).