N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

C12H17ClN2O3 — CID 78908383

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C12H17ClN2O3/c1-17-6-5-14-8-12(16)15-10-7-9(13)3-4-11(10)18-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyYVFVKMBUMSSMLK-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.52
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 78908383) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID78908383
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C12H17ClN2O3/c1-17-6-5-14-8-12(16)15-10-7-9(13)3-4-11(10)18-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyYVFVKMBUMSSMLK-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 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 ≤ 51.52
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

N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493
N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119776586
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119785490

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (CID 78908383) is N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is YVFVKMBUMSSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-17-6-5-14-8-12(16)15-10-7-9(13)3-4-11(10)18-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 272.73 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 78908383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).