N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide

C13H20N2O2 — CID 105497919

IUPACN-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(CCC(C)N)c1
InChIInChI=1S/C13H20N2O2/c1-9(14)4-5-11-8-12(17-3)6-7-13(11)15-10(2)16/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyNKDCZBNEWSJXAL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide

N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide (PubChem CID 105497919) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide
PubChem CID105497919
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(CCC(C)N)c1
InChIInChI=1S/C13H20N2O2/c1-9(14)4-5-11-8-12(17-3)6-7-13(11)15-10(2)16/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyNKDCZBNEWSJXAL-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

N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide
CID 105497647
N-[2-(3-aminobutyl)-6-methoxyphenyl]acetamide
CID 105497913
(2R)-2-amino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 68733160
4-(2-bromo-5-methoxyphenyl)-2-methylbutanoic acid
CID 81008924
2-acetamido-5-methoxybenzoate
CID 6928297
1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
CID 20543767
4-(2-amino-5-methoxyphenyl)butan-2-ol
CID 23434309
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
N-[4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]phenyl]acetamide
CID 168680711
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide (CID 105497919) is N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)c(CCC(C)N)c1.
What is the InChIKey of N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide?
The InChIKey is NKDCZBNEWSJXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(14)4-5-11-8-12(17-3)6-7-13(11)15-10(2)16/h6-9H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide?
N-[2-(3-aminobutyl)-4-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)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 105497919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).