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

C13H18ClNO2 — CID 67968197

IUPAC2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClNO2/c1-10-8-12(14)5-4-11(10)9-13(16)15-6-3-7-17-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyOSSNWKSLJOIYCX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.34
Rot. Bonds6

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

2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide (PubChem CID 67968197) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
PubChem CID67968197
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClNO2/c1-10-8-12(14)5-4-11(10)9-13(16)15-6-3-7-17-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyOSSNWKSLJOIYCX-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-(4-methoxy-2,3-dimethylphenyl)-N-(3-methoxypropyl)acetamide
CID 110769636
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide (CID 67968197) is 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
The InChIKey is OSSNWKSLJOIYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10-8-12(14)5-4-11(10)9-13(16)15-6-3-7-17-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide?
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide has a molecular weight of 255.75 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 67968197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).