2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide

C24H26N2O3 — CID 166208983

IUPAC2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)NCc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C24H26N2O3/c1-25-24(27)21(16-18-8-4-3-5-9-18)26-17-19-12-14-20(15-13-19)29-23-11-7-6-10-22(23)28-2/h3-15,21,26H,16-17H2,1-2H3,(H,25,27)
InChIKeyZNRNDPXPMNYCCC-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.93
Rot. Bonds9

About 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide

2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide (PubChem CID 166208983) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide
PubChem CID166208983
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)NCc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C24H26N2O3/c1-25-24(27)21(16-18-8-4-3-5-9-18)26-17-19-12-14-20(15-13-19)29-23-11-7-6-10-22(23)28-2/h3-15,21,26H,16-17H2,1-2H3,(H,25,27)
InChIKeyZNRNDPXPMNYCCC-UHFFFAOYSA-N
XLogP3.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzylamino)-N-methyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 174941177
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
(2S)-2-[(3-butoxy-4-methoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796489
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 120511546
(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 770236
2-amino-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pentanamide
CID 119322060
1-[[4-(2-methoxyphenoxy)phenyl]methyl]-2,3-dimethylguanidine
CID 86777560
N-hydroxy-3-phenyl-2-[(4-phenylphenyl)methylamino]propanamide
CID 20748988
(3S)-3-[(3-hydroxy-4-methoxyphenyl)methylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid;methane
CID 157478756
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796449

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide (CID 166208983) is 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)NCc1ccc(Oc2ccccc2OC)cc1.
What is the InChIKey of 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide?
The InChIKey is ZNRNDPXPMNYCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25-24(27)21(16-18-8-4-3-5-9-18)26-17-19-12-14-20(15-13-19)29-23-11-7-6-10-22(23)28-2/h3-15,21,26H,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide?
2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenoxy)phenyl]methylamino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 166208983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).