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

C20H21N3O2 — CID 113118534

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1C
InChIInChI=1S/C20H21N3O2/c1-15-7-3-4-9-18(15)14-23(16(2)24)12-11-20(25)22-19-10-6-5-8-17(19)13-21/h3-10H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyCZPZWJZYGCQBRP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.24
Rot. Bonds6

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

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide (PubChem CID 113118534) 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-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
PubChem CID113118534
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1C
InChIInChI=1S/C20H21N3O2/c1-15-7-3-4-9-18(15)14-23(16(2)24)12-11-20(25)22-19-10-6-5-8-17(19)13-21/h3-10H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyCZPZWJZYGCQBRP-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-(3-cyanophenyl)propanamide
CID 113118535
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122330
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150616
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
ethyl 4-[3-[acetyl-[(2-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118522
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142957
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide (CID 113118534) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C#N)Cc1ccccc1C.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide?
The InChIKey is CZPZWJZYGCQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-7-3-4-9-18(15)14-23(16(2)24)12-11-20(25)22-19-10-6-5-8-17(19)13-21/h3-10H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-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-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113118534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).