3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide

C17H20ClN3O2 — CID 51094682

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)C1(C#N)CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-12(22)20-15(13-4-6-14(18)7-5-13)10-16(23)21(2)17(11-19)8-3-9-17/h4-7,15H,3,8-10H2,1-2H3,(H,20,22)
InChIKeyGIBYSFKXWIMPCU-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.81
Rot. Bonds5

About 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide

3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide (PubChem CID 51094682) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide
PubChem CID51094682
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)C1(C#N)CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O2/c1-12(22)20-15(13-4-6-14(18)7-5-13)10-16(23)21(2)17(11-19)8-3-9-17/h4-7,15H,3,8-10H2,1-2H3,(H,20,22)
InChIKeyGIBYSFKXWIMPCU-UHFFFAOYSA-N
XLogP2.81
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 51312505
1-[[3-acetamido-3-(4-methylphenyl)propanoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539890
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
N-(1-cyanocyclohexyl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 7870610
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 38831458
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide (CID 51094682) is 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide is CC(=O)NC(CC(=O)N(C)C1(C#N)CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide?
The InChIKey is GIBYSFKXWIMPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12(22)20-15(13-4-6-14(18)7-5-13)10-16(23)21(2)17(11-19)8-3-9-17/h4-7,15H,3,8-10H2,1-2H3,(H,20,22).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide?
3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(1-cyanocyclobutyl)-N-methylpropanamide is sourced from PubChem (CID 51094682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).