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

C20H27N3O2 — CID 120871619

IUPAC3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(CCN)CCc2ccccc2)c1
InChIInChI=1S/C20H27N3O2/c1-25-19-9-5-8-18(16-19)22-20(24)11-14-23(15-12-21)13-10-17-6-3-2-4-7-17/h2-9,16H,10-15,21H2,1H3,(H,22,24)
InChIKeyLSTBFNHONYJLPY-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.53
Rot. Bonds10

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

3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 120871619) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
PubChem CID120871619
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(CCN)CCc2ccccc2)c1
InChIInChI=1S/C20H27N3O2/c1-25-19-9-5-8-18(16-19)22-20(24)11-14-23(15-12-21)13-10-17-6-3-2-4-7-17/h2-9,16H,10-15,21H2,1H3,(H,22,24)
InChIKeyLSTBFNHONYJLPY-UHFFFAOYSA-N
XLogP2.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.53
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
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide (CID 120871619) is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN(CCN)CCc2ccccc2)c1.
What is the InChIKey of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is LSTBFNHONYJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-25-19-9-5-8-18(16-19)22-20(24)11-14-23(15-12-21)13-10-17-6-3-2-4-7-17/h2-9,16H,10-15,21H2,1H3,(H,22,24).
What are the key properties of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide?
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.53, 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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 120871619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).