4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide

C20H24N2O2 — CID 44607267

IUPAC4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide
SMILESNC1CC1c1ccc(OCCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c21-19-13-18(19)16-8-10-17(11-9-16)24-12-4-7-20(23)22-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,21H2,(H,22,23)
InChIKeyFOCFCEFLGCXBFK-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.98
Rot. Bonds8

About 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide

4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide (PubChem CID 44607267) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide.

Molecular Properties

Compound Name4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide
PubChem CID44607267
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide
SMILESNC1CC1c1ccc(OCCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c21-19-13-18(19)16-8-10-17(11-9-16)24-12-4-7-20(23)22-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,21H2,(H,22,23)
InChIKeyFOCFCEFLGCXBFK-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide?
The IUPAC name of 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide (CID 44607267) is 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide.
What is the SMILES notation for 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide?
The canonical SMILES for 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide is NC1CC1c1ccc(OCCCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide?
The InChIKey is FOCFCEFLGCXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-19-13-18(19)16-8-10-17(11-9-16)24-12-4-7-20(23)22-14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,21H2,(H,22,23).
What are the key properties of 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide?
4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide has a molecular weight of 324.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminocyclopropyl)phenoxy]-N-benzylbutanamide is sourced from PubChem (CID 44607267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).