2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide

C22H30N2O3 — CID 2983903

IUPAC2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCCCCNCc1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1
InChIInChI=1S/C22H30N2O3/c1-4-6-13-23-15-18-11-12-20(21(14-18)26-5-2)27-16-22(25)24-19-10-8-7-9-17(19)3/h7-12,14,23H,4-6,13,15-16H2,1-3H3,(H,24,25)
InChIKeyFGDNEUFVVNZRIP-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.30
Rot. Bonds11

About 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide

2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 2983903) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
PubChem CID2983903
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCCCCNCc1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1
InChIInChI=1S/C22H30N2O3/c1-4-6-13-23-15-18-11-12-20(21(14-18)26-5-2)27-16-22(25)24-19-10-8-7-9-17(19)3/h7-12,14,23H,4-6,13,15-16H2,1-3H3,(H,24,25)
InChIKeyFGDNEUFVVNZRIP-UHFFFAOYSA-N
XLogP4.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618
[2-(2-methylanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823053
2-[4-[(3,4-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126383812
[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
CID 2215708
2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
CID 2960401
3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
CID 109028248
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
ethyl 2-[4-(butylaminomethyl)-2-methylphenoxy]acetate
CID 58622846
N-tert-butyl-2-[2-ethoxy-4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17214182
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide (CID 2983903) is 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide is CCCCNCc1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1.
What is the InChIKey of 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is FGDNEUFVVNZRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-6-13-23-15-18-11-12-20(21(14-18)26-5-2)27-16-22(25)24-19-10-8-7-9-17(19)3/h7-12,14,23H,4-6,13,15-16H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide?
2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2983903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).