2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide

C13H19N3O2 — CID 86987364

IUPAC2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H19N3O2/c1-4-14-11(17)8-15-13(18)16-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyIPRJTNOWRXNGJV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds4

About 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide

2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide (PubChem CID 86987364) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
PubChem CID86987364
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H19N3O2/c1-4-14-11(17)8-15-13(18)16-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyIPRJTNOWRXNGJV-UHFFFAOYSA-N
XLogP1.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea
CID 59778684
2-[(2-chloro-6-methylphenyl)carbamoylamino]-N-(cyclopropylmethyl)acetamide
CID 86795692
2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
CID 86856275
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-(2,6-dimethylphenyl)-2-(methylcarbamothioylamino)acetamide
CID 8790815
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-[2-(ethylcarbamoylamino)-6-methylphenyl]-2-methylpropanamide
CID 46949700
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide (CID 86987364) is 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide is CCNC(=O)CNC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide?
The InChIKey is IPRJTNOWRXNGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-14-11(17)8-15-13(18)16-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide?
2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide has a molecular weight of 249.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)carbamoylamino]-N-ethylacetamide is sourced from PubChem (CID 86987364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).