N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide

C17H28N2O — CID 63832151

IUPACN-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide
SMILESCCCN(C(=O)CC(C)C(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O/c1-6-11-19(15-9-7-14(18)8-10-15)16(20)12-13(2)17(3,4)5/h7-10,13H,6,11-12,18H2,1-5H3
InChIKeyOYFGKJKPDACRND-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.08
Rot. Bonds5

About N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide

N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide (PubChem CID 63832151) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide
PubChem CID63832151
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide
SMILESCCCN(C(=O)CC(C)C(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C17H28N2O/c1-6-11-19(15-9-7-14(18)8-10-15)16(20)12-13(2)17(3,4)5/h7-10,13H,6,11-12,18H2,1-5H3
InChIKeyOYFGKJKPDACRND-UHFFFAOYSA-N
XLogP4.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3,4,4-trimethyl-N-propylpentanamide?
The IUPAC name of N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide (CID 63832151) is N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide.
What is the SMILES notation for N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide?
The canonical SMILES for N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide is CCCN(C(=O)CC(C)C(C)(C)C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide?
The InChIKey is OYFGKJKPDACRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-11-19(15-9-7-14(18)8-10-15)16(20)12-13(2)17(3,4)5/h7-10,13H,6,11-12,18H2,1-5H3.
What are the key properties of N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide?
N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide is sourced from PubChem (CID 63832151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).