aniline;3-methoxy-N-methyl-3-phenylpropanamide

C17H22N2O2 — CID 172564255

IUPACaniline;3-methoxy-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(OC)c1ccccc1.Nc1ccccc1
InChIInChI=1S/C11H15NO2.C6H7N/c1-12-11(13)8-10(14-2)9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h3-7,10H,8H2,1-2H3,(H,12,13);1-5H,7H2
InChIKeyFRNGLRLVEMMEMA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.78
Rot. Bonds4

About aniline;3-methoxy-N-methyl-3-phenylpropanamide

aniline;3-methoxy-N-methyl-3-phenylpropanamide (PubChem CID 172564255) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is aniline;3-methoxy-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Nameaniline;3-methoxy-N-methyl-3-phenylpropanamide
PubChem CID172564255
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameaniline;3-methoxy-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(OC)c1ccccc1.Nc1ccccc1
InChIInChI=1S/C11H15NO2.C6H7N/c1-12-11(13)8-10(14-2)9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h3-7,10H,8H2,1-2H3,(H,12,13);1-5H,7H2
InChIKeyFRNGLRLVEMMEMA-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.78
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

[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
3-methoxy-3-phenylpropanoic acid
CID 13379217
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170
N-methyl-3,3-diphenylpropanamide
CID 3373592
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
N-methyl-3-phenyl-3-trimethylsilylpropanamide
CID 16732522
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
CID 125467780
(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one
CID 71723282
benzyl (E)-3,5-dimethoxy-5-phenylpent-2-enoate
CID 71723279
(2R)-2-methoxy-2-phenylethanol
CID 6950345
(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608

Frequently Asked Questions

What is the IUPAC name of aniline;3-methoxy-N-methyl-3-phenylpropanamide?
The IUPAC name of aniline;3-methoxy-N-methyl-3-phenylpropanamide (CID 172564255) is aniline;3-methoxy-N-methyl-3-phenylpropanamide.
What is the SMILES notation for aniline;3-methoxy-N-methyl-3-phenylpropanamide?
The canonical SMILES for aniline;3-methoxy-N-methyl-3-phenylpropanamide is CNC(=O)CC(OC)c1ccccc1.Nc1ccccc1.
What is the InChIKey of aniline;3-methoxy-N-methyl-3-phenylpropanamide?
The InChIKey is FRNGLRLVEMMEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C6H7N/c1-12-11(13)8-10(14-2)9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h3-7,10H,8H2,1-2H3,(H,12,13);1-5H,7H2.
What are the key properties of aniline;3-methoxy-N-methyl-3-phenylpropanamide?
aniline;3-methoxy-N-methyl-3-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;3-methoxy-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 172564255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).