N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide

C16H24N2O2 — CID 106200083

IUPACN-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
SMILESNc1ccc(NC(=O)CCCOCCC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-14-6-8-15(9-7-14)18-16(19)5-2-11-20-12-10-13-3-1-4-13/h6-9,13H,1-5,10-12,17H2,(H,18,19)
InChIKeyGYDPVTPNMJGNOD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.19
Rot. Bonds8

About N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide

N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide (PubChem CID 106200083) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
PubChem CID106200083
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide
SMILESNc1ccc(NC(=O)CCCOCCC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-14-6-8-15(9-7-14)18-16(19)5-2-11-20-12-10-13-3-1-4-13/h6-9,13H,1-5,10-12,17H2,(H,18,19)
InChIKeyGYDPVTPNMJGNOD-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-4-(2-cyclobutylethoxy)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide (CID 106200083) is N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide is Nc1ccc(NC(=O)CCCOCCC2CCC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide?
The InChIKey is GYDPVTPNMJGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14-6-8-15(9-7-14)18-16(19)5-2-11-20-12-10-13-3-1-4-13/h6-9,13H,1-5,10-12,17H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide?
N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide has a molecular weight of 276.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(2-cyclobutylethoxy)butanamide is sourced from PubChem (CID 106200083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).