N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide

C20H29Cl2NO2 — CID 13279955

IUPACN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide
SMILESCCC(CC)CC(NC(=O)COC)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C20H29Cl2NO2/c1-4-14(5-2)11-18(23-19(24)13-25-3)20(9-6-10-20)15-7-8-16(21)17(22)12-15/h7-8,12,14,18H,4-6,9-11,13H2,1-3H3,(H,23,24)
InChIKeyWMEZJQNYMMYFKS-UHFFFAOYSA-N
MW386.36 g/mol
LogP5.37
Rot. Bonds9

About N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide

N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide (PubChem CID 13279955) has the molecular formula C20H29Cl2NO2 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide
PubChem CID13279955
Molecular FormulaC20H29Cl2NO2
Molecular Weight386.36 g/mol
Exact Mass385.16
IUPAC NameN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide
SMILESCCC(CC)CC(NC(=O)COC)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C20H29Cl2NO2/c1-4-14(5-2)11-18(23-19(24)13-25-3)20(9-6-10-20)15-7-8-16(21)17(22)12-15/h7-8,12,14,18H,4-6,9-11,13H2,1-3H3,(H,23,24)
InChIKeyWMEZJQNYMMYFKS-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.36
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide?
The IUPAC name of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide (CID 13279955) is N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide is CCC(CC)CC(NC(=O)COC)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide?
The InChIKey is WMEZJQNYMMYFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2NO2/c1-4-14(5-2)11-18(23-19(24)13-25-3)20(9-6-10-20)15-7-8-16(21)17(22)12-15/h7-8,12,14,18H,4-6,9-11,13H2,1-3H3,(H,23,24).
What are the key properties of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide?
N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide has a molecular weight of 386.36 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]-3-ethylpentyl]-2-methoxyacetamide is sourced from PubChem (CID 13279955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).