2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide

C17H29N3O — CID 62120854

IUPAC2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H29N3O/c1-7-20(12-16(21)18-6)15-9-8-14(10-13(15)2)11-19-17(3,4)5/h8-10,19H,7,11-12H2,1-6H3,(H,18,21)
InChIKeyAQMFRSUJCTUDDS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.46
Rot. Bonds6

About 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide

2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide (PubChem CID 62120854) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
PubChem CID62120854
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H29N3O/c1-7-20(12-16(21)18-6)15-9-8-14(10-13(15)2)11-19-17(3,4)5/h8-10,19H,7,11-12H2,1-6H3,(H,18,21)
InChIKeyAQMFRSUJCTUDDS-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide (CID 62120854) is 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccc(CNC(C)(C)C)cc1C.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide?
The InChIKey is AQMFRSUJCTUDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-7-20(12-16(21)18-6)15-9-8-14(10-13(15)2)11-19-17(3,4)5/h8-10,19H,7,11-12H2,1-6H3,(H,18,21).
What are the key properties of 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide?
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide has a molecular weight of 291.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide is sourced from PubChem (CID 62120854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).