2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide

C14H20ClNO3 — CID 110768709

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C14H20ClNO3/c1-10-7-13(19-3)12(15)8-11(10)9-14(17)16-5-4-6-18-2/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyNMSXWWGHLBXSFN-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.35
Rot. Bonds7

About 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide

2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide (PubChem CID 110768709) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
PubChem CID110768709
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C14H20ClNO3/c1-10-7-13(19-3)12(15)8-11(10)9-14(17)16-5-4-6-18-2/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyNMSXWWGHLBXSFN-UHFFFAOYSA-N
XLogP2.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
2-(4-methoxy-2,3-dimethylphenyl)-N-(3-methoxypropyl)acetamide
CID 110769636
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide (CID 110768709) is 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1cc(Cl)c(OC)cc1C.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is NMSXWWGHLBXSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10-7-13(19-3)12(15)8-11(10)9-14(17)16-5-4-6-18-2/h7-8H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 285.77 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110768709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).