3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide

C16H18N2O2 — CID 106485112

IUPAC3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
SMILESNCc1cccc(OCCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c17-12-13-5-4-8-15(11-13)20-10-9-16(19)18-14-6-2-1-3-7-14/h1-8,11H,9-10,12,17H2,(H,18,19)
InChIKeyVCOWFXYKFMGLJH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.55
Rot. Bonds6

About 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide

3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide (PubChem CID 106485112) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
PubChem CID106485112
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
SMILESNCc1cccc(OCCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c17-12-13-5-4-8-15(11-13)20-10-9-16(19)18-14-6-2-1-3-7-14/h1-8,11H,9-10,12,17H2,(H,18,19)
InChIKeyVCOWFXYKFMGLJH-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
CID 106485193
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide (CID 106485112) is 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide is NCc1cccc(OCCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide?
The InChIKey is VCOWFXYKFMGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-12-13-5-4-8-15(11-13)20-10-9-16(19)18-14-6-2-1-3-7-14/h1-8,11H,9-10,12,17H2,(H,18,19).
What are the key properties of 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide?
3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide is sourced from PubChem (CID 106485112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).