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

C15H24N4O2 — CID 120872156

IUPAC3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(CCN)CCc1ccccc1
InChIInChI=1S/C15H24N4O2/c1-17-15(21)18-14(20)8-11-19(12-9-16)10-7-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H2,17,18,20,21)
InChIKeyOKRFZXQEZDCOMF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.34
Rot. Bonds8

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

3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 120872156) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID120872156
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(CCN)CCc1ccccc1
InChIInChI=1S/C15H24N4O2/c1-17-15(21)18-14(20)8-11-19(12-9-16)10-7-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H2,17,18,20,21)
InChIKeyOKRFZXQEZDCOMF-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide
CID 104859038
3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120871594
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120872121
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide
CID 51097264
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 120872417
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide (CID 120872156) is 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN(CCN)CCc1ccccc1.
What is the InChIKey of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is OKRFZXQEZDCOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-15(21)18-14(20)8-11-19(12-9-16)10-7-13-5-3-2-4-6-13/h2-6H,7-12,16H2,1H3,(H2,17,18,20,21).
What are the key properties of 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide?
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 120872156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).