N-[(3-aminophenyl)methyl]-3-phenoxypropanamide

C16H18N2O2 — CID 62499937

IUPACN-[(3-aminophenyl)methyl]-3-phenoxypropanamide
SMILESNc1cccc(CNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12,17H2,(H,18,19)
InChIKeyNCXWYMIPZGIICT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.35
Rot. Bonds6

About N-[(3-aminophenyl)methyl]-3-phenoxypropanamide

N-[(3-aminophenyl)methyl]-3-phenoxypropanamide (PubChem CID 62499937) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-phenoxypropanamide
PubChem CID62499937
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(3-aminophenyl)methyl]-3-phenoxypropanamide
SMILESNc1cccc(CNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12,17H2,(H,18,19)
InChIKeyNCXWYMIPZGIICT-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]-3-phenoxypropanamide
CID 114302259
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
3-(3-aminophenoxy)-N-[(2-bromophenyl)methyl]propanamide
CID 61401540
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-phenoxypropanamide (CID 62499937) is N-[(3-aminophenyl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-phenoxypropanamide is Nc1cccc(CNC(=O)CCOc2ccccc2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-phenoxypropanamide?
The InChIKey is NCXWYMIPZGIICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12,17H2,(H,18,19).
What are the key properties of N-[(3-aminophenyl)methyl]-3-phenoxypropanamide?
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide has a molecular weight of 270.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 62499937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).