N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide

C13H20N2O2 — CID 105497913

IUPACN-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide
SMILESCOc1cccc(CCC(C)N)c1NC(C)=O
InChIInChI=1S/C13H20N2O2/c1-9(14)7-8-11-5-4-6-12(17-3)13(11)15-10(2)16/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyQOZUBUIAACYALM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide

N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide (PubChem CID 105497913) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide
PubChem CID105497913
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide
SMILESCOc1cccc(CCC(C)N)c1NC(C)=O
InChIInChI=1S/C13H20N2O2/c1-9(14)7-8-11-5-4-6-12(17-3)13(11)15-10(2)16/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyQOZUBUIAACYALM-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
N-[2-(1-aminoethyl)-6-methoxyphenyl]acetamide
CID 117297795
(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
CID 117445145
3-(2-acetamido-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117417062
N-[2-methoxy-6-(piperidin-4-ylmethyl)phenyl]acetamide
CID 117410784
N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide
CID 105497919
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
2-(2-acetamido-3-methoxyphenyl)-3-aminopropanoic acid
CID 117383613
3-[3-methoxy-2-(propanoylamino)phenyl]propanoic acid
CID 68521040
methyl (2S)-2-(methoxycarbonylamino)-4-(2-methoxyphenyl)butanoate
CID 10636522
2-acetamido-3-methoxy-N,N-dimethylbenzamide
CID 140972358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide?
The IUPAC name of N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide (CID 105497913) is N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide is COc1cccc(CCC(C)N)c1NC(C)=O.
What is the InChIKey of N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide?
The InChIKey is QOZUBUIAACYALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(14)7-8-11-5-4-6-12(17-3)13(11)15-10(2)16/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide?
N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide is sourced from PubChem (CID 105497913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).