3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide

C17H29N3O — CID 65265051

IUPAC3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C17H29N3O/c1-7-20(8-2)14-11-9-13(10-12-14)19-15(21)16(3,4)17(5,6)18/h9-12H,7-8,18H2,1-6H3,(H,19,21)
InChIKeyZYLJQQIDQXMGOW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.23
Rot. Bonds6

About 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide

3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide (PubChem CID 65265051) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
PubChem CID65265051
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C17H29N3O/c1-7-20(8-2)14-11-9-13(10-12-14)19-15(21)16(3,4)17(5,6)18/h9-12H,7-8,18H2,1-6H3,(H,19,21)
InChIKeyZYLJQQIDQXMGOW-UHFFFAOYSA-N
XLogP3.23
TPSA58.36 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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide (CID 65265051) is 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide is CCN(CC)c1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1.
What is the InChIKey of 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide?
The InChIKey is ZYLJQQIDQXMGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-7-20(8-2)14-11-9-13(10-12-14)19-15(21)16(3,4)17(5,6)18/h9-12H,7-8,18H2,1-6H3,(H,19,21).
What are the key properties of 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide?
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65265051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).