N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide

C13H18ClNO4 — CID 47410572

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
SMILESCOc1cc(OC)c(NC(=O)COC(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO4/c1-8(2)19-7-13(16)15-10-5-9(14)11(17-3)6-12(10)18-4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyPOMHRJBLBBPHHY-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.72
Rot. Bonds6

About N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide (PubChem CID 47410572) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
PubChem CID47410572
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
SMILESCOc1cc(OC)c(NC(=O)COC(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO4/c1-8(2)19-7-13(16)15-10-5-9(14)11(17-3)6-12(10)18-4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyPOMHRJBLBBPHHY-UHFFFAOYSA-N
XLogP2.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1020008
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
3-O-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860657

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide (CID 47410572) is N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide is COc1cc(OC)c(NC(=O)COC(C)C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide?
The InChIKey is POMHRJBLBBPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-8(2)19-7-13(16)15-10-5-9(14)11(17-3)6-12(10)18-4/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide has a molecular weight of 287.74 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 47410572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).