4-amino-N-(4-phenylmethoxyphenyl)butanamide

C17H20N2O2 — CID 22692237

IUPAC4-amino-N-(4-phenylmethoxyphenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)
InChIKeyQTWBKNVNGVYTNZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.94
Rot. Bonds7

About 4-amino-N-(4-phenylmethoxyphenyl)butanamide

4-amino-N-(4-phenylmethoxyphenyl)butanamide (PubChem CID 22692237) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-(4-phenylmethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-phenylmethoxyphenyl)butanamide
PubChem CID22692237
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-N-(4-phenylmethoxyphenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)
InChIKeyQTWBKNVNGVYTNZ-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-phenylmethoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-(4-phenylmethoxyphenyl)butanamide (CID 22692237) is 4-amino-N-(4-phenylmethoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-phenylmethoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-phenylmethoxyphenyl)butanamide is NCCCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(4-phenylmethoxyphenyl)butanamide?
The InChIKey is QTWBKNVNGVYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20).
What are the key properties of 4-amino-N-(4-phenylmethoxyphenyl)butanamide?
4-amino-N-(4-phenylmethoxyphenyl)butanamide has a molecular weight of 284.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-phenylmethoxyphenyl)butanamide is sourced from PubChem (CID 22692237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).