2-(4-ethyl-3-methylanilino)-N-propylacetamide

C14H22N2O — CID 113346217

IUPAC2-(4-ethyl-3-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(CC)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-8-15-14(17)10-16-13-7-6-12(5-2)11(3)9-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,15,17)
InChIKeyXDWYOSXVNZRICG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-ethyl-3-methylanilino)-N-propylacetamide

2-(4-ethyl-3-methylanilino)-N-propylacetamide (PubChem CID 113346217) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-3-methylanilino)-N-propylacetamide
PubChem CID113346217
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-ethyl-3-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(CC)c(C)c1
InChIInChI=1S/C14H22N2O/c1-4-8-15-14(17)10-16-13-7-6-12(5-2)11(3)9-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,15,17)
InChIKeyXDWYOSXVNZRICG-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
CID 134008013
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801
N-propyl-2-(4-propylanilino)acetamide
CID 43216175
2-(4-phenylanilino)-N-propylacetamide
CID 47117859
N-propyl-2-(thiophen-3-ylamino)acetamide
CID 66351485
2-(1-benzothiophen-5-ylamino)-N-propylacetamide
CID 60751180
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
2-(3-ethyl-4-methylanilino)-N-propan-2-ylacetamide
CID 114250238
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
2-(4-amino-3-cyanoanilino)-N-propylacetamide
CID 113323851
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylanilino)-N-propylacetamide?
The IUPAC name of 2-(4-ethyl-3-methylanilino)-N-propylacetamide (CID 113346217) is 2-(4-ethyl-3-methylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(4-ethyl-3-methylanilino)-N-propylacetamide?
The canonical SMILES for 2-(4-ethyl-3-methylanilino)-N-propylacetamide is CCCNC(=O)CNc1ccc(CC)c(C)c1.
What is the InChIKey of 2-(4-ethyl-3-methylanilino)-N-propylacetamide?
The InChIKey is XDWYOSXVNZRICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-8-15-14(17)10-16-13-7-6-12(5-2)11(3)9-13/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-ethyl-3-methylanilino)-N-propylacetamide?
2-(4-ethyl-3-methylanilino)-N-propylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylanilino)-N-propylacetamide is sourced from PubChem (CID 113346217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).