N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide

C14H22N2O3 — CID 106243082

IUPACN-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
SMILESCOCC(N)CCNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O3/c1-18-10-12(15)7-8-16-14(17)9-11-3-5-13(19-2)6-4-11/h3-6,12H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyBSKNXLSPHIYFBH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.72
Rot. Bonds8

About N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide

N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 106243082) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
PubChem CID106243082
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
SMILESCOCC(N)CCNC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O3/c1-18-10-12(15)7-8-16-14(17)9-11-3-5-13(19-2)6-4-11/h3-6,12H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyBSKNXLSPHIYFBH-UHFFFAOYSA-N
XLogP0.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
CID 106242904
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride
CID 119799811
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-(2-amino-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 107158847
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide (CID 106243082) is N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide is COCC(N)CCNC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is BSKNXLSPHIYFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-10-12(15)7-8-16-14(17)9-11-3-5-13(19-2)6-4-11/h3-6,12H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide?
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 106243082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).