2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide

C20H27N3O — CID 120872033

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(CCN)CCc2ccccc2)c1
InChIInChI=1S/C20H27N3O/c1-17-6-5-9-19(14-17)15-22-20(24)16-23(13-11-21)12-10-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16,21H2,1H3,(H,22,24)
InChIKeyYIROBSAQYCLEOK-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.11
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 120872033) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID120872033
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN(CCN)CCc2ccccc2)c1
InChIInChI=1S/C20H27N3O/c1-17-6-5-9-19(14-17)15-22-20(24)16-23(13-11-21)12-10-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16,21H2,1H3,(H,22,24)
InChIKeyYIROBSAQYCLEOK-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 120872604
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
CID 120872603
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 120872602
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 100790406
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
3-[methyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911397
2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 122152484
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 111334191
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide (CID 120872033) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN(CCN)CCc2ccccc2)c1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is YIROBSAQYCLEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-17-6-5-9-19(14-17)15-22-20(24)16-23(13-11-21)12-10-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16,21H2,1H3,(H,22,24).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 120872033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).