3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide

C16H21ClN2O2 — CID 113123179

IUPAC3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)CCc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-12(20)19(10-8-16(21)18-15-5-6-15)9-7-13-3-2-4-14(17)11-13/h2-4,11,15H,5-10H2,1H3,(H,18,21)
InChIKeyCSKPACLMNGVOFP-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.40
Rot. Bonds7

About 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide

3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide (PubChem CID 113123179) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
PubChem CID113123179
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CC1)CCc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-12(20)19(10-8-16(21)18-15-5-6-15)9-7-13-3-2-4-14(17)11-13/h2-4,11,15H,5-10H2,1H3,(H,18,21)
InChIKeyCSKPACLMNGVOFP-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113123284
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 47142765
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113123192
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
4-[3-[acetyl(benzyl)amino]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229266
4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
CID 110625244
4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524552
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide (CID 113123179) is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide is CC(=O)N(CCC(=O)NC1CC1)CCc1cccc(Cl)c1.
What is the InChIKey of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
The InChIKey is CSKPACLMNGVOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12(20)19(10-8-16(21)18-15-5-6-15)9-7-13-3-2-4-14(17)11-13/h2-4,11,15H,5-10H2,1H3,(H,18,21).
What are the key properties of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide?
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide has a molecular weight of 308.81 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 113123179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).