2-[4-(aminomethyl)-N-ethylanilino]acetamide

C11H17N3O — CID 43275827

IUPAC2-[4-(aminomethyl)-N-ethylanilino]acetamide
SMILESCCN(CC(N)=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O/c1-2-14(8-11(13)15)10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H2,13,15)
InChIKeyZWJVHBVWBRWLKY-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.46
Rot. Bonds5

About 2-[4-(aminomethyl)-N-ethylanilino]acetamide

2-[4-(aminomethyl)-N-ethylanilino]acetamide (PubChem CID 43275827) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethylanilino]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethylanilino]acetamide
PubChem CID43275827
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[4-(aminomethyl)-N-ethylanilino]acetamide
SMILESCCN(CC(N)=O)c1ccc(CN)cc1
InChIInChI=1S/C11H17N3O/c1-2-14(8-11(13)15)10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H2,13,15)
InChIKeyZWJVHBVWBRWLKY-UHFFFAOYSA-N
XLogP0.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253
2-[4-(aminomethyl)-N-ethyl-2-methylanilino]acetamide
CID 103103281
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
2-[N-(2-amino-2-oxoethyl)-4-(hydroxymethyl)anilino]acetamide
CID 62923495
2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide
CID 61486228
2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488230
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
2-(4-amino-N-ethyl-3-methylanilino)acetamide
CID 54103671
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)aniline
CID 43587074
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]acetamide (CID 43275827) is 2-[4-(aminomethyl)-N-ethylanilino]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethylanilino]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethylanilino]acetamide is CCN(CC(N)=O)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethylanilino]acetamide?
The InChIKey is ZWJVHBVWBRWLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14(8-11(13)15)10-5-3-9(7-12)4-6-10/h3-6H,2,7-8,12H2,1H3,(H2,13,15).
What are the key properties of 2-[4-(aminomethyl)-N-ethylanilino]acetamide?
2-[4-(aminomethyl)-N-ethylanilino]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-ethylanilino]acetamide is sourced from PubChem (CID 43275827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).