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

C18H21ClN2O3 — CID 109001204

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccc(CCNCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-23-15-6-3-13(4-7-15)9-10-20-12-18(22)21-14-5-8-17(24-2)16(19)11-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyASGFIKKMUDXLBR-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.13
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide (PubChem CID 109001204) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
PubChem CID109001204
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccc(CCNCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-23-15-6-3-13(4-7-15)9-10-20-12-18(22)21-14-5-8-17(24-2)16(19)11-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyASGFIKKMUDXLBR-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 109002869
N-(3-chloro-4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025681
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
CID 109002904
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide (CID 109001204) is N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide is COc1ccc(CCNCC(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The InChIKey is ASGFIKKMUDXLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-15-6-3-13(4-7-15)9-10-20-12-18(22)21-14-5-8-17(24-2)16(19)11-14/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109001204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).