3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide

C20H22Cl2N2O2 — CID 113122328

IUPAC3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-15(25)24(13-6-9-16-7-3-2-4-8-16)14-12-19(26)23-20-17(21)10-5-11-18(20)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,23,26)
InChIKeyLURBKCNKYXCQQH-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.80
Rot. Bonds8

About 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide

3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113122328) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID113122328
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCCc1ccccc1)CCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-15(25)24(13-6-9-16-7-3-2-4-8-16)14-12-19(26)23-20-17(21)10-5-11-18(20)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,23,26)
InChIKeyLURBKCNKYXCQQH-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292
3-[acetyl(3-phenylpropyl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113122324
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113116856
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122330
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
3-[benzyl(propyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 55482442
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide (CID 113122328) is 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide is CC(=O)N(CCCc1ccccc1)CCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is LURBKCNKYXCQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-15(25)24(13-6-9-16-7-3-2-4-8-16)14-12-19(26)23-20-17(21)10-5-11-18(20)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide?
3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 393.31 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-phenylpropyl)amino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113122328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).