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

C22H27ClN2O2 — CID 113123283

IUPAC3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(CCc1cccc(Cl)c1)C(C)=O)c1cccc(C)c1
InChIInChI=1S/C22H27ClN2O2/c1-4-25(21-10-5-7-17(2)15-21)22(27)12-14-24(18(3)26)13-11-19-8-6-9-20(23)16-19/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyIOPFTTWOGCKOBK-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.48
Rot. Bonds8

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

3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113123283) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113123283
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN(CCc1cccc(Cl)c1)C(C)=O)c1cccc(C)c1
InChIInChI=1S/C22H27ClN2O2/c1-4-25(21-10-5-7-17(2)15-21)22(27)12-14-24(18(3)26)13-11-19-8-6-9-20(23)16-19/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyIOPFTTWOGCKOBK-UHFFFAOYSA-N
XLogP4.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 113123179
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide (CID 113123283) is 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN(CCc1cccc(Cl)c1)C(C)=O)c1cccc(C)c1.
What is the InChIKey of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is IOPFTTWOGCKOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-4-25(21-10-5-7-17(2)15-21)22(27)12-14-24(18(3)26)13-11-19-8-6-9-20(23)16-19/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of 3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide?
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 386.92 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 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-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113123283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).