3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide

C20H21N3O2 — CID 113118535

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1C
InChIInChI=1S/C20H21N3O2/c1-15-6-3-4-8-18(15)14-23(16(2)24)11-10-20(25)22-19-9-5-7-17(12-19)13-21/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyJOZWPVRMBKZMKH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.24
Rot. Bonds6

About 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide (PubChem CID 113118535) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide
PubChem CID113118535
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1C
InChIInChI=1S/C20H21N3O2/c1-15-6-3-4-8-18(15)14-23(16(2)24)11-10-20(25)22-19-9-5-7-17(12-19)13-21/h3-9,12H,10-11,14H2,1-2H3,(H,22,25)
InChIKeyJOZWPVRMBKZMKH-UHFFFAOYSA-N
XLogP3.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
3-(N-acetyl-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495
ethyl 4-[3-[acetyl-[(2-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118522
3-(N-acetyl-3,4-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113133827
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163539
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide (CID 113118535) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1C.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide?
The InChIKey is JOZWPVRMBKZMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-6-3-4-8-18(15)14-23(16(2)24)11-10-20(25)22-19-9-5-7-17(12-19)13-21/h3-9,12H,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 113118535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).