2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide

C15H22ClN3O3 — CID 46575229

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3/c1-11(12-4-6-13(16)7-5-12)19(2)10-14(20)18-15(21)17-8-9-22-3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,20,21)
InChIKeyQZKDRZZKKVYSTL-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.80
Rot. Bonds7

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide

2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 46575229) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID46575229
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3/c1-11(12-4-6-13(16)7-5-12)19(2)10-14(20)18-15(21)17-8-9-22-3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,20,21)
InChIKeyQZKDRZZKKVYSTL-UHFFFAOYSA-N
XLogP1.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.80
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

2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(phenylcarbamoyl)acetamide
CID 46573663
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-(4-chloroanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26506588
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
2-[1-(2-fluoro-4-hydroxyphenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107721043
1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
CID 47133922
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-[azetidin-3-yl(methyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 66185736
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 46573873
2-(4-chloro-2-methylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 26507186

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 46575229) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is QZKDRZZKKVYSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-11(12-4-6-13(16)7-5-12)19(2)10-14(20)18-15(21)17-8-9-22-3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 327.81 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 46575229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).