2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide

C12H17N3O2 — CID 46537872

IUPAC2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide
SMILESCCc1ccc(NCC(=O)NC(=O)NC)cc1
InChIInChI=1S/C12H17N3O2/c1-3-9-4-6-10(7-5-9)14-8-11(16)15-12(17)13-2/h4-7,14H,3,8H2,1-2H3,(H2,13,15,16,17)
InChIKeyUNSCQKUYOUVWKU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.12
Rot. Bonds4

About 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide

2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide (PubChem CID 46537872) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide
PubChem CID46537872
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide
SMILESCCc1ccc(NCC(=O)NC(=O)NC)cc1
InChIInChI=1S/C12H17N3O2/c1-3-9-4-6-10(7-5-9)14-8-11(16)15-12(17)13-2/h4-7,14H,3,8H2,1-2H3,(H2,13,15,16,17)
InChIKeyUNSCQKUYOUVWKU-UHFFFAOYSA-N
XLogP1.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylanilino)-N-propan-2-ylacetamide
CID 28583181
1-(4-ethylphenyl)-3-methylurea
CID 54250791
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
N-ethyl-2-(4-ethylanilino)-N-methylacetamide
CID 43309649
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
N-(4-ethylphenyl)-2-(4-methoxyanilino)acetamide;4-methoxyaniline;hydrochloride
CID 22693863
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide (CID 46537872) is 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide is CCc1ccc(NCC(=O)NC(=O)NC)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide?
The InChIKey is UNSCQKUYOUVWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-9-4-6-10(7-5-9)14-8-11(16)15-12(17)13-2/h4-7,14H,3,8H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide?
2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 46537872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).