2-(4-amino-N-ethylanilino)-N-methylacetamide

C11H17N3O — CID 43577916

IUPAC2-(4-amino-N-ethylanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(8-11(15)13-2)10-6-4-9(12)5-7-10/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeyZZPPFAOSDWWOQO-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.84
Rot. Bonds4

About 2-(4-amino-N-ethylanilino)-N-methylacetamide

2-(4-amino-N-ethylanilino)-N-methylacetamide (PubChem CID 43577916) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)-N-methylacetamide
PubChem CID43577916
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(4-amino-N-ethylanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(8-11(15)13-2)10-6-4-9(12)5-7-10/h4-7H,3,8,12H2,1-2H3,(H,13,15)
InChIKeyZZPPFAOSDWWOQO-UHFFFAOYSA-N
XLogP0.84
TPSA58.36 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 ≤ 50.84
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
CID 63233665
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
CID 61449191
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
CID 62136249
4-N,4-N-diethylbenzene-1,4-diamine;2-fluoroacetic acid
CID 88776124
2-[2-(4-aminophenyl)ethyl-ethylamino]-N-methylacetamide
CID 43574920
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
CID 80730536
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315
N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-amino-N-ethylanilino)-N-methylacetamide (CID 43577916) is 2-(4-amino-N-ethylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-N-ethylanilino)-N-methylacetamide is CCN(CC(=O)NC)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-ethylanilino)-N-methylacetamide?
The InChIKey is ZZPPFAOSDWWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14(8-11(15)13-2)10-6-4-9(12)5-7-10/h4-7H,3,8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-(4-amino-N-ethylanilino)-N-methylacetamide?
2-(4-amino-N-ethylanilino)-N-methylacetamide has a molecular weight of 207.28 g/mol, XLogP of 0.84, 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-ethylanilino)-N-methylacetamide is sourced from PubChem (CID 43577916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).