2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide

C13H19N3O3 — CID 60685209

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-14-13(19)15-12(18)10-16(7-8-17)9-11-5-3-2-4-6-11/h2-6,17H,7-10H2,1H3,(H2,14,15,18,19)
InChIKeyZULPINREMVYLRI-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.06
Rot. Bonds6

About 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide

2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide (PubChem CID 60685209) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
PubChem CID60685209
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-14-13(19)15-12(18)10-16(7-8-17)9-11-5-3-2-4-6-11/h2-6,17H,7-10H2,1H3,(H2,14,15,18,19)
InChIKeyZULPINREMVYLRI-UHFFFAOYSA-N
XLogP-0.06
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
N-[2-[bis(2-hydroxyethyl)amino]acetyl]-2-phenylacetamide
CID 60686355
3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide
CID 104859038
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
CID 55319008
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
CID 62114945
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17415318
2-[benzyl(2-hydroxyethyl)amino]-N-methyl-N-phenylacetamide
CID 110881016

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide (CID 60685209) is 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is ZULPINREMVYLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-13(19)15-12(18)10-16(7-8-17)9-11-5-3-2-4-6-11/h2-6,17H,7-10H2,1H3,(H2,14,15,18,19).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide?
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 60685209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).