2-(4-amino-N-ethylanilino)-N-tert-butylacetamide

C14H23N3O — CID 63233665

IUPAC2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-5-17(10-13(18)16-14(2,3)4)12-8-6-11(15)7-9-12/h6-9H,5,10,15H2,1-4H3,(H,16,18)
InChIKeyZZQXOVITTMWXKQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds4

About 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide

2-(4-amino-N-ethylanilino)-N-tert-butylacetamide (PubChem CID 63233665) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
PubChem CID63233665
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-5-17(10-13(18)16-14(2,3)4)12-8-6-11(15)7-9-12/h6-9H,5,10,15H2,1-4H3,(H,16,18)
InChIKeyZZQXOVITTMWXKQ-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
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-methylacetamide
CID 43577916
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
CID 63233662
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
4-N,4-N-diethylbenzene-1,4-diamine;2-fluoroacetic acid
CID 88776124
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267745
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide (CID 63233665) is 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide is CCN(CC(=O)NC(C)(C)C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide?
The InChIKey is ZZQXOVITTMWXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(10-13(18)16-14(2,3)4)12-8-6-11(15)7-9-12/h6-9H,5,10,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-amino-N-ethylanilino)-N-tert-butylacetamide?
2-(4-amino-N-ethylanilino)-N-tert-butylacetamide has a molecular weight of 249.36 g/mol, XLogP of 2.01, 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-tert-butylacetamide is sourced from PubChem (CID 63233665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).