2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide

C13H21N3O — CID 54987046

IUPAC2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc(C)cc1N
InChIInChI=1S/C13H21N3O/c1-4-15-13(17)9-16(5-2)12-7-6-10(3)8-11(12)14/h6-8H,4-5,9,14H2,1-3H3,(H,15,17)
InChIKeyVIXPXNIZRQFKKE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.54
Rot. Bonds5

About 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide

2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide (PubChem CID 54987046) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
PubChem CID54987046
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ccc(C)cc1N
InChIInChI=1S/C13H21N3O/c1-4-15-13(17)9-16(5-2)12-7-6-10(3)8-11(12)14/h6-8H,4-5,9,14H2,1-3H3,(H,15,17)
InChIKeyVIXPXNIZRQFKKE-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-N-ethyl-4-nitroanilino)-N-ethylacetamide
CID 62508624
2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 103137754
2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
CID 63592696
3-amino-4-[[2-(butylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 63119071
2-amino-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 104500429
3-chloro-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 81152000
3-[4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methylphenyl]prop-2-enoic acid
CID 76936219
[3-amino-4-(diethylamino)phenyl]-(2,5-dimethylphenyl)methanone
CID 39407093

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide (CID 54987046) is 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide is CCNC(=O)CN(CC)c1ccc(C)cc1N.
What is the InChIKey of 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide?
The InChIKey is VIXPXNIZRQFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-15-13(17)9-16(5-2)12-7-6-10(3)8-11(12)14/h6-8H,4-5,9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide?
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 54987046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).