N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide

C14H20ClNO2 — CID 113103032

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
SMILESCCCC(=O)NCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H20ClNO2/c1-4-5-13(17)16-6-7-18-12-8-10(2)14(15)11(3)9-12/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyWOHYHBZUTDMARU-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide (PubChem CID 113103032) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
PubChem CID113103032
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
SMILESCCCC(=O)NCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H20ClNO2/c1-4-5-13(17)16-6-7-18-12-8-10(2)14(15)11(3)9-12/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyWOHYHBZUTDMARU-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.25
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-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 113103062
3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1,1-diethylurea
CID 112977185
1-butyl-3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1-methylurea
CID 112977192
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
CID 113103060
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
4-(4-chloro-3,5-dimethylphenoxy)butan-2-one
CID 39246924
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
1-(4-bromophenyl)-3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]urea
CID 112977212
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-(2,6-difluorophenyl)urea
CID 112977247
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113103051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide (CID 113103032) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide is CCCC(=O)NCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide?
The InChIKey is WOHYHBZUTDMARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-5-13(17)16-6-7-18-12-8-10(2)14(15)11(3)9-12/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide has a molecular weight of 269.77 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide is sourced from PubChem (CID 113103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).