N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide

C14H20ClNO3 — CID 113468253

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
SMILESCOCCN(CCCl)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-18-9-8-16(7-6-15)14(17)11-12-4-3-5-13(10-12)19-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeySQUNEPURZVSJHK-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.95
Rot. Bonds8

About N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide

N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 113468253) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
PubChem CID113468253
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
SMILESCOCCN(CCCl)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C14H20ClNO3/c1-18-9-8-16(7-6-15)14(17)11-12-4-3-5-13(10-12)19-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeySQUNEPURZVSJHK-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 62500315
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119348042
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide (CID 113468253) is N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide is COCCN(CCCl)C(=O)Cc1cccc(OC)c1.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is SQUNEPURZVSJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-9-8-16(7-6-15)14(17)11-12-4-3-5-13(10-12)19-2/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide?
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 285.77 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113468253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).