2-(3-amino-2-methylanilino)-N-ethylacetamide

C11H17N3O — CID 63077987

IUPAC2-(3-amino-2-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cccc(N)c1C
InChIInChI=1S/C11H17N3O/c1-3-13-11(15)7-14-10-6-4-5-9(12)8(10)2/h4-6,14H,3,7,12H2,1-2H3,(H,13,15)
InChIKeyNEQHDWKOZRFBKI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.13
Rot. Bonds4

About 2-(3-amino-2-methylanilino)-N-ethylacetamide

2-(3-amino-2-methylanilino)-N-ethylacetamide (PubChem CID 63077987) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3-amino-2-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylanilino)-N-ethylacetamide
PubChem CID63077987
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(3-amino-2-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cccc(N)c1C
InChIInChI=1S/C11H17N3O/c1-3-13-11(15)7-14-10-6-4-5-9(12)8(10)2/h4-6,14H,3,7,12H2,1-2H3,(H,13,15)
InChIKeyNEQHDWKOZRFBKI-UHFFFAOYSA-N
XLogP1.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
CID 113404982
1-(3-amino-2-methylphenyl)-3-ethylurea
CID 43164799
2-methyl-3-N-(2-methylidenebutyl)benzene-1,3-diamine
CID 126987109
2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
CID 81190734
2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
2-(2-butoxyanilino)-N-ethylacetamide
CID 54828166
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
CID 60788724

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylanilino)-N-ethylacetamide?
The IUPAC name of 2-(3-amino-2-methylanilino)-N-ethylacetamide (CID 63077987) is 2-(3-amino-2-methylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-2-methylanilino)-N-ethylacetamide is CCNC(=O)CNc1cccc(N)c1C.
What is the InChIKey of 2-(3-amino-2-methylanilino)-N-ethylacetamide?
The InChIKey is NEQHDWKOZRFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-13-11(15)7-14-10-6-4-5-9(12)8(10)2/h4-6,14H,3,7,12H2,1-2H3,(H,13,15).
What are the key properties of 2-(3-amino-2-methylanilino)-N-ethylacetamide?
2-(3-amino-2-methylanilino)-N-ethylacetamide has a molecular weight of 207.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 63077987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).