N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide

C13H20N2O2 — CID 55173941

IUPACN-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC(CCN)N(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-10(6-7-14)15(2)13(17)9-11-4-3-5-12(16)8-11/h3-5,8,10,16H,6-7,9,14H2,1-2H3
InChIKeyPMFMPTOEDOYVAO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.13
Rot. Bonds5

About N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide

N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 55173941) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID55173941
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC(CCN)N(C)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-10(6-7-14)15(2)13(17)9-11-4-3-5-12(16)8-11/h3-5,8,10,16H,6-7,9,14H2,1-2H3
InChIKeyPMFMPTOEDOYVAO-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide
CID 63225559
N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 62729336
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
2-(3-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63221975
2-(3-hydroxyphenyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55000494
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 54991694
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63224955
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide (CID 55173941) is N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide is CC(CCN)N(C)C(=O)Cc1cccc(O)c1.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is PMFMPTOEDOYVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(6-7-14)15(2)13(17)9-11-4-3-5-12(16)8-11/h3-5,8,10,16H,6-7,9,14H2,1-2H3.
What are the key properties of N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide?
N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 55173941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).