N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide

C16H23NO3 — CID 75378567

IUPACN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(C)cc1OC1CCCC1
InChIInChI=1S/C16H23NO3/c1-12-7-8-13(10-17-16(18)11-19-2)15(9-12)20-14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyLROYETDNIFWABY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.58
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide

N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide (PubChem CID 75378567) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide
PubChem CID75378567
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(C)cc1OC1CCCC1
InChIInChI=1S/C16H23NO3/c1-12-7-8-13(10-17-16(18)11-19-2)15(9-12)20-14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyLROYETDNIFWABY-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide (CID 75378567) is N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(C)cc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide?
The InChIKey is LROYETDNIFWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-7-8-13(10-17-16(18)11-19-2)15(9-12)20-14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide?
N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methylphenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 75378567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).