2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide

C21H25ClN2O3 — CID 55860648

IUPAC2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C2CC2)C(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O3/c1-14(15-4-6-16(22)7-5-15)24(17-8-9-17)13-21(25)23-19-12-18(26-2)10-11-20(19)27-3/h4-7,10-12,14,17H,8-9,13H2,1-3H3,(H,23,25)
InChIKeyZVTWOESMNNQREZ-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.52
Rot. Bonds8

About 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide

2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 55860648) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID55860648
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C2CC2)C(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O3/c1-14(15-4-6-16(22)7-5-15)24(17-8-9-17)13-21(25)23-19-12-18(26-2)10-11-20(19)27-3/h4-7,10-12,14,17H,8-9,13H2,1-3H3,(H,23,25)
InChIKeyZVTWOESMNNQREZ-UHFFFAOYSA-N
XLogP4.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113147968
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[acetyl(3-methylbutyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113166588
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46512444
2-(4-chlorophenyl)-2-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 75449368
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide (CID 55860648) is 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(C2CC2)C(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is ZVTWOESMNNQREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-14(15-4-6-16(22)7-5-15)24(17-8-9-17)13-21(25)23-19-12-18(26-2)10-11-20(19)27-3/h4-7,10-12,14,17H,8-9,13H2,1-3H3,(H,23,25).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55860648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).