2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C22H27ClN2O2 — CID 113165479

IUPAC2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C22H27ClN2O2/c1-15(2)20-7-5-6-16(3)22(20)24-21(27)14-25(17(4)26)13-12-18-8-10-19(23)11-9-18/h5-11,15H,12-14H2,1-4H3,(H,24,27)
InChIKeyFJHOGNNQEQPVNM-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.80
Rot. Bonds7

About 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113165479) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID113165479
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCc1ccc(Cl)cc1)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C22H27ClN2O2/c1-15(2)20-7-5-6-16(3)22(20)24-21(27)14-25(17(4)26)13-12-18-8-10-19(23)11-9-18/h5-11,15H,12-14H2,1-4H3,(H,24,27)
InChIKeyFJHOGNNQEQPVNM-UHFFFAOYSA-N
XLogP4.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113164396
2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179624
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165206
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120872237
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide
CID 113165529
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121992
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9252437
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113165479) is 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CCc1ccc(Cl)cc1)CC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is FJHOGNNQEQPVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-15(2)20-7-5-6-16(3)22(20)24-21(27)14-25(17(4)26)13-12-18-8-10-19(23)11-9-18/h5-11,15H,12-14H2,1-4H3,(H,24,27).
What are the key properties of 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 386.92 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113165479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).