N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide

C22H25N3O3 — CID 108923165

IUPACN-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)19-6-4-5-7-20(19)28-16(3)22(27)24-14-17-8-10-18(11-9-17)25-21(26)12-13-23/h4-11,15-16H,12,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyFSKOUMOYVSSDSD-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.75
Rot. Bonds8

About N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide

N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 108923165) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID108923165
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)19-6-4-5-7-20(19)28-16(3)22(27)24-14-17-8-10-18(11-9-17)25-21(26)12-13-23/h4-11,15-16H,12,14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyFSKOUMOYVSSDSD-UHFFFAOYSA-N
XLogP3.75
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide 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-cyanoacetyl)amino]methyl]phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108923561
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
N-[(4-acetamidophenyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18153975
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
tert-butyl N-[2-oxo-2-[3-[[2-(2-propan-2-ylphenoxy)propanoylamino]methyl]anilino]ethyl]carbamate
CID 108918397
2-cyano-N-[4-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108922586

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 108923165) is N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide is CC(Oc1ccccc1C(C)C)C(=O)NCc1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is FSKOUMOYVSSDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)19-6-4-5-7-20(19)28-16(3)22(27)24-14-17-8-10-18(11-9-17)25-21(26)12-13-23/h4-11,15-16H,12,14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108923165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).