2-[(4-aminophenyl)methoxy]-N-benzylacetamide

C16H18N2O2 — CID 28973831

IUPAC2-[(4-aminophenyl)methoxy]-N-benzylacetamide
SMILESNc1ccc(COCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-15-8-6-14(7-9-15)11-20-12-16(19)18-10-13-4-2-1-3-5-13/h1-9H,10-12,17H2,(H,18,19)
InChIKeyDTIDLZOMIMVNMG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.10
Rot. Bonds6

About 2-[(4-aminophenyl)methoxy]-N-benzylacetamide

2-[(4-aminophenyl)methoxy]-N-benzylacetamide (PubChem CID 28973831) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methoxy]-N-benzylacetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methoxy]-N-benzylacetamide
PubChem CID28973831
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(4-aminophenyl)methoxy]-N-benzylacetamide
SMILESNc1ccc(COCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-15-8-6-14(7-9-15)11-20-12-16(19)18-10-13-4-2-1-3-5-13/h1-9H,10-12,17H2,(H,18,19)
InChIKeyDTIDLZOMIMVNMG-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
4-(phenylmethoxymethyl)aniline
CID 11701294
3-[(4-aminophenyl)methylamino]-3-oxopropanoic acid
CID 110480209
N-[(4-aminophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110483777
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216
2-(2-amino-2-methylpropoxy)-N-benzylacetamide
CID 64537589
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
2-[(4-aminophenyl)methylsulfonyl]-N-benzylacetamide
CID 94804309
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
CID 119763496

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methoxy]-N-benzylacetamide?
The IUPAC name of 2-[(4-aminophenyl)methoxy]-N-benzylacetamide (CID 28973831) is 2-[(4-aminophenyl)methoxy]-N-benzylacetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methoxy]-N-benzylacetamide?
The canonical SMILES for 2-[(4-aminophenyl)methoxy]-N-benzylacetamide is Nc1ccc(COCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methoxy]-N-benzylacetamide?
The InChIKey is DTIDLZOMIMVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-15-8-6-14(7-9-15)11-20-12-16(19)18-10-13-4-2-1-3-5-13/h1-9H,10-12,17H2,(H,18,19).
What are the key properties of 2-[(4-aminophenyl)methoxy]-N-benzylacetamide?
2-[(4-aminophenyl)methoxy]-N-benzylacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methoxy]-N-benzylacetamide is sourced from PubChem (CID 28973831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).