3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride

C20H28ClN3O2 — CID 120871594

IUPAC3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCN(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-25-19-9-7-18(8-10-19)22-20(24)12-15-23(16-13-21)14-11-17-5-3-2-4-6-17;/h2-10H,11-16,21H2,1H3,(H,22,24);1H
InChIKeyMHJIPSXUJIGSCQ-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.95
Rot. Bonds10

About 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride

3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 120871594) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
PubChem CID120871594
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(NC(=O)CCN(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-25-19-9-7-18(8-10-19)22-20(24)12-15-23(16-13-21)14-11-17-5-3-2-4-6-17;/h2-10H,11-16,21H2,1H3,(H,22,24);1H
InChIKeyMHJIPSXUJIGSCQ-UHFFFAOYSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
3-phenylpropyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 4934277
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride (CID 120871594) is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride is COc1ccc(NC(=O)CCN(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is MHJIPSXUJIGSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-25-19-9-7-18(8-10-19)22-20(24)12-15-23(16-13-21)14-11-17-5-3-2-4-6-17;/h2-10H,11-16,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride?
3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120871594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).