2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

C12H17ClN2O3 — CID 65026801

IUPAC2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNC(C(N)=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-17-6-5-15-11(12(14)16)8-3-4-10(18-2)9(13)7-8/h3-4,7,11,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyDYCFHCBLVBECPO-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.11
Rot. Bonds7

About 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 65026801) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID65026801
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNC(C(N)=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-17-6-5-15-11(12(14)16)8-3-4-10(18-2)9(13)7-8/h3-4,7,11,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyDYCFHCBLVBECPO-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.11
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-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
2-(butan-2-ylamino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026746
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetamide
CID 62540820
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 65026713
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)acetamide
CID 62541518

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (CID 65026801) is 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is COCCNC(C(N)=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is DYCFHCBLVBECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-17-6-5-15-11(12(14)16)8-3-4-10(18-2)9(13)7-8/h3-4,7,11,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 272.73 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 65026801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).