N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide

C12H17N3O2 — CID 108871331

IUPACN-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
SMILESCC(=O)N(CCN)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-10(16)15(8-7-13)12(17)14-9-11-5-3-2-4-6-11/h2-6H,7-9,13H2,1H3,(H,14,17)
InChIKeyJPOSAZQHNBXLFY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.70
Rot. Bonds4

About N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide

N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide (PubChem CID 108871331) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
PubChem CID108871331
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
SMILESCC(=O)N(CCN)C(=O)NCc1ccccc1
InChIInChI=1S/C12H17N3O2/c1-10(16)15(8-7-13)12(17)14-9-11-5-3-2-4-6-11/h2-6H,7-9,13H2,1H3,(H,14,17)
InChIKeyJPOSAZQHNBXLFY-UHFFFAOYSA-N
XLogP0.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-(benzylcarbamoyl)carbamate
CID 108871353
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide
CID 108899771
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
N-benzylacetamide;ethanamine
CID 22257034
N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide
CID 108518840
2-[benzylcarbamoyl-(2-cyanoacetyl)amino]ethyl acetate
CID 22011121
1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride
CID 146064929
2-[(2-amino-2-oxoethyl)carbamoyl-(benzylcarbamoyl)amino]acetic acid
CID 155490415
2-[acetyl(methyl)amino]-N-benzylpropanamide
CID 10037012
1-[[2-(aminomethyl)phenyl]methyl]-3-benzyl-1-methylurea
CID 107653273
N-benzylethanethioamide
CID 3598879

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide (CID 108871331) is N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide is CC(=O)N(CCN)C(=O)NCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide?
The InChIKey is JPOSAZQHNBXLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10(16)15(8-7-13)12(17)14-9-11-5-3-2-4-6-11/h2-6H,7-9,13H2,1H3,(H,14,17).
What are the key properties of N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide?
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide is sourced from PubChem (CID 108871331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).