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

C21H23N3O2 — CID 113122330

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H23N3O2/c1-17(25)24(14-7-10-18-8-3-2-4-9-18)15-13-21(26)23-20-12-6-5-11-19(20)16-22/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,23,26)
InChIKeyMICRALUKAUAEFA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.37
Rot. Bonds8

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

3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide (PubChem CID 113122330) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
PubChem CID113122330
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H23N3O2/c1-17(25)24(14-7-10-18-8-3-2-4-9-18)15-13-21(26)23-20-12-6-5-11-19(20)16-22/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,23,26)
InChIKeyMICRALUKAUAEFA-UHFFFAOYSA-N
XLogP3.37
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.37
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-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113122328
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide (CID 113122330) is 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide is CC(=O)N(CCCc1ccccc1)CCC(=O)Nc1ccccc1C#N.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide?
The InChIKey is MICRALUKAUAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-17(25)24(14-7-10-18-8-3-2-4-9-18)15-13-21(26)23-20-12-6-5-11-19(20)16-22/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide?
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113122330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).