N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide

C20H21N3O2 — CID 113064234

IUPACN-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-16(24)23(19-9-5-8-18(14-19)15-21)13-12-22-20(25)11-10-17-6-3-2-4-7-17/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyFBKXGGRDBPNDAF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide

N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide (PubChem CID 113064234) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
PubChem CID113064234
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-16(24)23(19-9-5-8-18(14-19)15-21)13-12-22-20(25)11-10-17-6-3-2-4-7-17/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyFBKXGGRDBPNDAF-UHFFFAOYSA-N
XLogP2.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113064241
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709
3-(N-acetyl-3-cyanoanilino)-N-(1-phenylethyl)propanamide
CID 113134859
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113064357
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064269
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide (CID 113064234) is N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide is CC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(C#N)c1.
What is the InChIKey of N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide?
The InChIKey is FBKXGGRDBPNDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-16(24)23(19-9-5-8-18(14-19)15-21)13-12-22-20(25)11-10-17-6-3-2-4-7-17/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide?
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide has a molecular weight of 335.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113064234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).