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

C20H26N2O4 — CID 170889603

IUPAC2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCCC(N)Cc1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-4-15(21)11-14-5-10-18(19(12-14)25-3)26-13-20(23)22-16-6-8-17(24-2)9-7-16/h5-10,12,15H,4,11,13,21H2,1-3H3,(H,22,23)
InChIKeyKNRWXQYPEAJZTO-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.00
Rot. Bonds9

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

2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 170889603) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
PubChem CID170889603
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
SMILESCCC(N)Cc1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C20H26N2O4/c1-4-15(21)11-14-5-10-18(19(12-14)25-3)26-13-20(23)22-16-6-8-17(24-2)9-7-16/h5-10,12,15H,4,11,13,21H2,1-3H3,(H,22,23)
InChIKeyKNRWXQYPEAJZTO-UHFFFAOYSA-N
XLogP3.00
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 170889634
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908010
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 170889623
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16563652
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-methoxyanilino)methyl]phenoxy]acetamide
CID 5034754
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439
N'-[(Z)-[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126267664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide (CID 170889603) is 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide is CCC(N)Cc1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1.
What is the InChIKey of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KNRWXQYPEAJZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-15(21)11-14-5-10-18(19(12-14)25-3)26-13-20(23)22-16-6-8-17(24-2)9-7-16/h5-10,12,15H,4,11,13,21H2,1-3H3,(H,22,23).
What are the key properties of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide?
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 170889603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).