2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide

C11H13N5O2 — CID 7504393

IUPAC2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C11H13N5O2/c1-2-12-11(18)13-10(17)7-16-9-6-4-3-5-8(9)14-15-16/h3-6H,2,7H2,1H3,(H2,12,13,17,18)
InChIKeyRJIMDVJBOJAFEC-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.28
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide

2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide (PubChem CID 7504393) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
PubChem CID7504393
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C11H13N5O2/c1-2-12-11(18)13-10(17)7-16-9-6-4-3-5-8(9)14-15-16/h3-6H,2,7H2,1H3,(H2,12,13,17,18)
InChIKeyRJIMDVJBOJAFEC-UHFFFAOYSA-N
XLogP0.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
methyl N-[2-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamoylamino]ethyl]carbamate
CID 166386173
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
2-(benzotriazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 46527260
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
CID 19323056
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide (CID 7504393) is 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide?
The InChIKey is RJIMDVJBOJAFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-12-11(18)13-10(17)7-16-9-6-4-3-5-8(9)14-15-16/h3-6H,2,7H2,1H3,(H2,12,13,17,18).
What are the key properties of 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide?
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 7504393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).