ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide

C19H34N2O — CID 142833066

IUPACethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide
SMILESCC.CC.Cc1ccc(C2(N(C)CC(N)=O)CCCC2)cc1
InChIInChI=1S/C15H22N2O.2C2H6/c1-12-5-7-13(8-6-12)15(9-3-4-10-15)17(2)11-14(16)18;2*1-2/h5-8H,3-4,9-11H2,1-2H3,(H2,16,18);2*1-2H3
InChIKeyWUXBITHSIYMXIM-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.23
Rot. Bonds4

About ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide

ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide (PubChem CID 142833066) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide.

Molecular Properties

Compound Nameethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide
PubChem CID142833066
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Nameethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide
SMILESCC.CC.Cc1ccc(C2(N(C)CC(N)=O)CCCC2)cc1
InChIInChI=1S/C15H22N2O.2C2H6/c1-12-5-7-13(8-6-12)15(9-3-4-10-15)17(2)11-14(16)18;2*1-2/h5-8H,3-4,9-11H2,1-2H3,(H2,16,18);2*1-2H3
InChIKeyWUXBITHSIYMXIM-UHFFFAOYSA-N
XLogP4.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide?
The IUPAC name of ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide (CID 142833066) is ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide.
What is the SMILES notation for ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide?
The canonical SMILES for ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide is CC.CC.Cc1ccc(C2(N(C)CC(N)=O)CCCC2)cc1.
What is the InChIKey of ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide?
The InChIKey is WUXBITHSIYMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.2C2H6/c1-12-5-7-13(8-6-12)15(9-3-4-10-15)17(2)11-14(16)18;2*1-2/h5-8H,3-4,9-11H2,1-2H3,(H2,16,18);2*1-2H3.
What are the key properties of ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide?
ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide has a molecular weight of 306.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl-[1-(4-methylphenyl)cyclopentyl]amino]acetamide is sourced from PubChem (CID 142833066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).