2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide

C19H25N3O2 — CID 120871653

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-24-18-9-7-17(8-10-18)21-19(23)15-22(14-12-20)13-11-16-5-3-2-4-6-16/h2-10H,11-15,20H2,1H3,(H,21,23)
InChIKeyUKJYWYBTMLDFDS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.14
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 120871653) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
PubChem CID120871653
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCN)CCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-24-18-9-7-17(8-10-18)21-19(23)15-22(14-12-20)13-11-16-5-3-2-4-6-16/h2-10H,11-15,20H2,1H3,(H,21,23)
InChIKeyUKJYWYBTMLDFDS-UHFFFAOYSA-N
XLogP2.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120871594
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 5042527
2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 113442235
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 120871773

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide (CID 120871653) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CCN)CCc2ccccc2)cc1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is UKJYWYBTMLDFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-18-9-7-17(8-10-18)21-19(23)15-22(14-12-20)13-11-16-5-3-2-4-6-16/h2-10H,11-15,20H2,1H3,(H,21,23).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 120871653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).