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

C22H29N3O2 — CID 120884500

IUPAC3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(CCN)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H29N3O2/c1-19(26)25(18-21-10-6-3-7-11-21)16-13-22(27)24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11H,12-18,23H2,1H3
InChIKeyJLDFPHPBOZKMTL-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.46
Rot. Bonds10

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

3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide (PubChem CID 120884500) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
PubChem CID120884500
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
SMILESCC(=O)N(CCC(=O)N(CCN)CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H29N3O2/c1-19(26)25(18-21-10-6-3-7-11-21)16-13-22(27)24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11H,12-18,23H2,1H3
InChIKeyJLDFPHPBOZKMTL-UHFFFAOYSA-N
XLogP2.46
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide (CID 120884500) is 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide is CC(=O)N(CCC(=O)N(CCN)CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide?
The InChIKey is JLDFPHPBOZKMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-19(26)25(18-21-10-6-3-7-11-21)16-13-22(27)24(17-14-23)15-12-20-8-4-2-5-9-20/h2-11H,12-18,23H2,1H3.
What are the key properties of 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide?
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120884500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).