1-[4-(phenylmethoxyamino)phenyl]propan-1-one

C16H17NO2 — CID 57161903

IUPAC1-[4-(phenylmethoxyamino)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NOCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-16(18)14-8-10-15(11-9-14)17-19-12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3
InChIKeyGGASXLHZESMLSC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-(phenylmethoxyamino)phenyl]propan-1-one

1-[4-(phenylmethoxyamino)phenyl]propan-1-one (PubChem CID 57161903) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-(phenylmethoxyamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(phenylmethoxyamino)phenyl]propan-1-one
PubChem CID57161903
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[4-(phenylmethoxyamino)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NOCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-2-16(18)14-8-10-15(11-9-14)17-19-12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3
InChIKeyGGASXLHZESMLSC-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(phenylmethoxyamino)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
(4-propanoylphenyl)carbamic acid
CID 122623771
4-(phenylmethoxyamino)benzenesulfonamide
CID 171384467
4-(4-ethylphenyl)-4-oxo-N-phenylmethoxybutanamide
CID 32577468
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
CID 92938916
tert-butyl 2-phenylmethoxy-4-propanoylbenzoate
CID 70815239

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenylmethoxyamino)phenyl]propan-1-one?
The IUPAC name of 1-[4-(phenylmethoxyamino)phenyl]propan-1-one (CID 57161903) is 1-[4-(phenylmethoxyamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(phenylmethoxyamino)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(phenylmethoxyamino)phenyl]propan-1-one is CCC(=O)c1ccc(NOCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(phenylmethoxyamino)phenyl]propan-1-one?
The InChIKey is GGASXLHZESMLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-16(18)14-8-10-15(11-9-14)17-19-12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3.
What are the key properties of 1-[4-(phenylmethoxyamino)phenyl]propan-1-one?
1-[4-(phenylmethoxyamino)phenyl]propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenylmethoxyamino)phenyl]propan-1-one is sourced from PubChem (CID 57161903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).