N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide

C15H25N3O — CID 82224626

IUPACN-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
SMILESCCN(CC)C(C(=O)Nc1ccc(N)cc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-5-18(6-2)14(11(3)4)15(19)17-13-9-7-12(16)8-10-13/h7-11,14H,5-6,16H2,1-4H3,(H,17,19)
InChIKeyQCIGJIUKQVBTJZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds6

About N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide

N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide (PubChem CID 82224626) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
PubChem CID82224626
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
SMILESCCN(CC)C(C(=O)Nc1ccc(N)cc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-5-18(6-2)14(11(3)4)15(19)17-13-9-7-12(16)8-10-13/h7-11,14H,5-6,16H2,1-4H3,(H,17,19)
InChIKeyQCIGJIUKQVBTJZ-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide?
The IUPAC name of N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide (CID 82224626) is N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide is CCN(CC)C(C(=O)Nc1ccc(N)cc1)C(C)C.
What is the InChIKey of N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide?
The InChIKey is QCIGJIUKQVBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(6-2)14(11(3)4)15(19)17-13-9-7-12(16)8-10-13/h7-11,14H,5-6,16H2,1-4H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide?
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide is sourced from PubChem (CID 82224626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).