N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

C21H27ClN2O3 — CID 18151896

IUPACN-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2ccc(C)cc2Cl)cc1OC
InChIInChI=1S/C21H27ClN2O3/c1-5-24(13-16-8-10-19(27-6-2)20(12-16)26-4)14-21(25)23-18-9-7-15(3)11-17(18)22/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyFUCASWYHNAGDIY-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.52
Rot. Bonds9

About N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide

N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (PubChem CID 18151896) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
PubChem CID18151896
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2ccc(C)cc2Cl)cc1OC
InChIInChI=1S/C21H27ClN2O3/c1-5-24(13-16-8-10-19(27-6-2)20(12-16)26-4)14-21(25)23-18-9-7-15(3)11-17(18)22/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyFUCASWYHNAGDIY-UHFFFAOYSA-N
XLogP4.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16962761
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
N-(2,6-dichloro-3-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620409
N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18151902
ethyl 4-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]benzoate
CID 16608706
N-(2-bromo-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698320
N-[(2,4-dichlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620426
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
N-(1,3-benzodioxol-5-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620402
1-(2-chloro-4-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiourea
CID 4669226

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide (CID 18151896) is N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is CCOc1ccc(CN(CC)CC(=O)Nc2ccc(C)cc2Cl)cc1OC.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is FUCASWYHNAGDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-5-24(13-16-8-10-19(27-6-2)20(12-16)26-4)14-21(25)23-18-9-7-15(3)11-17(18)22/h7-12H,5-6,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide?
N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 390.91 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 18151896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).