N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide

C33H34N4O2 — CID 162662335

IUPACN-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(NCc2cccc(-c3ccccc3)c2C)cc1OCc1cccc(C#N)c1
InChIInChI=1S/C33H34N4O2/c1-24-29(12-7-13-32(24)28-10-4-3-5-11-28)22-37-31-15-14-30(21-35-16-17-36-25(2)38)33(19-31)39-23-27-9-6-8-26(18-27)20-34/h3-15,18-19,35,37H,16-17,21-23H2,1-2H3,(H,36,38)
InChIKeyACJJUMPXTQMNJG-UHFFFAOYSA-N
MW518.66 g/mol
LogP5.95
Rot. Bonds12

About N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide

N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide (PubChem CID 162662335) has the molecular formula C33H34N4O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide
PubChem CID162662335
Molecular FormulaC33H34N4O2
Molecular Weight518.66 g/mol
Exact Mass518.27
IUPAC NameN-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(NCc2cccc(-c3ccccc3)c2C)cc1OCc1cccc(C#N)c1
InChIInChI=1S/C33H34N4O2/c1-24-29(12-7-13-32(24)28-10-4-3-5-11-28)22-37-31-15-14-30(21-35-16-17-36-25(2)38)33(19-31)39-23-27-9-6-8-26(18-27)20-34/h3-15,18-19,35,37H,16-17,21-23H2,1-2H3,(H,36,38)
InChIKeyACJJUMPXTQMNJG-UHFFFAOYSA-N
XLogP5.95
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 55.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide 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

N-[2-[[2-methoxy-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide
CID 162647848
(2R)-2-[[2-[(3-cyanophenyl)methoxy]-5-methyl-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]-3-hydroxypropanoic acid
CID 162648160
(2R)-2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]-3-hydroxypropanoic acid
CID 162670747
(Z)-N-(5-butan-2-yloxy-2-fluoro-4-naphthalen-1-ylphenyl)-2-cyano-3-hydroxybut-2-enamide
CID 168280837
3-[[2-[(2-Hydroxyethylamino)methyl]-5-[(2-methyl-3-phenylphenyl)methylamino]phenoxy]methyl]benzonitrile
CID 162654962
3-[[2-[(1,3-Dihydroxypropan-2-ylamino)methyl]-5-[(2-methyl-3-phenylphenyl)methylamino]phenoxy]methyl]benzonitrile
CID 162672318
3-[[2-[(2-Hydroxyethylamino)methyl]-5-[methyl-[(2-methyl-3-phenylphenyl)methyl]amino]phenoxy]methyl]benzonitrile
CID 162652954
(2R)-2-[[2-[(3-cyanophenyl)methoxy]-4-[methyl-[(2-methyl-3-phenylphenyl)methyl]amino]phenyl]methylamino]-3-hydroxypropanoic acid
CID 162655187
2-(3-Methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
CID 76310687
N-[2-[[2-[(3-cyanophenyl)methoxy]-5-[(2-methoxy-3-naphthalen-2-ylanilino)methyl]phenyl]methylamino]ethyl]acetamide
CID 172458457
N-[2-[[2-[(3-cyanophenyl)methoxy]-5-[(2-methoxy-3-phenylanilino)methyl]phenyl]methylamino]ethyl]acetamide
CID 172468186
2-[[5-[[2-Methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]methylamino]-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenoxy]methyl]benzonitrile
CID 156768628

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide (CID 162662335) is N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(NCc2cccc(-c3ccccc3)c2C)cc1OCc1cccc(C#N)c1.
What is the InChIKey of N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
The InChIKey is ACJJUMPXTQMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2/c1-24-29(12-7-13-32(24)28-10-4-3-5-11-28)22-37-31-15-14-30(21-35-16-17-36-25(2)38)33(19-31)39-23-27-9-6-8-26(18-27)20-34/h3-15,18-19,35,37H,16-17,21-23H2,1-2H3,(H,36,38).
What are the key properties of N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide?
N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide has a molecular weight of 518.66 g/mol, XLogP of 5.95, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 162662335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).