2-(4-amino-N-ethyl-3-methylanilino)acetamide

C11H17N3O — CID 54103671

IUPAC2-(4-amino-N-ethyl-3-methylanilino)acetamide
SMILESCCN(CC(N)=O)c1ccc(N)c(C)c1
InChIInChI=1S/C11H17N3O/c1-3-14(7-11(13)15)9-4-5-10(12)8(2)6-9/h4-6H,3,7,12H2,1-2H3,(H2,13,15)
InChIKeyNCGFRPMHDFRHNR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-amino-N-ethyl-3-methylanilino)acetamide

2-(4-amino-N-ethyl-3-methylanilino)acetamide (PubChem CID 54103671) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(4-amino-N-ethyl-3-methylanilino)acetamide.

Molecular Properties

Compound Name2-(4-amino-N-ethyl-3-methylanilino)acetamide
PubChem CID54103671
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(4-amino-N-ethyl-3-methylanilino)acetamide
SMILESCCN(CC(N)=O)c1ccc(N)c(C)c1
InChIInChI=1S/C11H17N3O/c1-3-14(7-11(13)15)9-4-5-10(12)8(2)6-9/h4-6H,3,7,12H2,1-2H3,(H2,13,15)
InChIKeyNCGFRPMHDFRHNR-UHFFFAOYSA-N
XLogP0.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-N-ethyl-4-sulfamoylanilino)acetamide
CID 103101163
2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
CID 62923686
1-amino-4-[ethyl-[2-[methyl(sulfino)amino]ethyl]amino]-2-methylbenzene
CID 22075016
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
2-(4-amino-N-ethyl-3-methylanilino)ethyl nitrate
CID 131700851
tetrakis(N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide);sulfuric acid
CID 173415406
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide;hydrochloride
CID 23320322
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
CID 62136249
2-amino-4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]benzoic acid
CID 104500429
4-N-[4-(4-amino-N-(4-amino-3-methylphenyl)-3-methylanilino)phenyl]-4-N-(4-amino-3-methylphenyl)-2-methylbenzene-1,4-diamine
CID 89352513
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethyl-3-methylanilino)acetamide?
The IUPAC name of 2-(4-amino-N-ethyl-3-methylanilino)acetamide (CID 54103671) is 2-(4-amino-N-ethyl-3-methylanilino)acetamide.
What is the SMILES notation for 2-(4-amino-N-ethyl-3-methylanilino)acetamide?
The canonical SMILES for 2-(4-amino-N-ethyl-3-methylanilino)acetamide is CCN(CC(N)=O)c1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-N-ethyl-3-methylanilino)acetamide?
The InChIKey is NCGFRPMHDFRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14(7-11(13)15)9-4-5-10(12)8(2)6-9/h4-6H,3,7,12H2,1-2H3,(H2,13,15).
What are the key properties of 2-(4-amino-N-ethyl-3-methylanilino)acetamide?
2-(4-amino-N-ethyl-3-methylanilino)acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethyl-3-methylanilino)acetamide is sourced from PubChem (CID 54103671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).