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

C14H22N4O2 — CID 104859038

IUPAC3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(CCN)Cc1ccccc1
InChIInChI=1S/C14H22N4O2/c1-16-14(20)17-13(19)7-9-18(10-8-15)11-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3,(H2,16,17,19,20)
InChIKeyREZLECCWJIZGRA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.29
Rot. Bonds7

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

3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 104859038) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID104859038
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(CCN)Cc1ccccc1
InChIInChI=1S/C14H22N4O2/c1-16-14(20)17-13(19)7-9-18(10-8-15)11-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3,(H2,16,17,19,20)
InChIKeyREZLECCWJIZGRA-UHFFFAOYSA-N
XLogP0.29
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966
azane;3-(dibenzylamino)propanoic acid
CID 162310692
methyl 3-[benzyl-[3-(carbamoylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 51107101
4-[[2-[2-aminoethyl(benzyl)amino]acetyl]amino]butanoic acid
CID 106511665
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
N'-benzyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 61014687
2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 113442235
3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
CID 55031850

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide (CID 104859038) is 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN(CCN)Cc1ccccc1.
What is the InChIKey of 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is REZLECCWJIZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-14(20)17-13(19)7-9-18(10-8-15)11-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3,(H2,16,17,19,20).
What are the key properties of 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide?
3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 104859038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).