N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide

C16H23NO4 — CID 777910

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCOc1cc(CNC(=O)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-17-16(18)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyKHDRKRCNJUPNCC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.52
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide

N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide (PubChem CID 777910) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide
PubChem CID777910
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCOc1cc(CNC(=O)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-17-16(18)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyKHDRKRCNJUPNCC-UHFFFAOYSA-N
XLogP2.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide (CID 777910) is N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide is COc1cc(CNC(=O)C2CCCC2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is KHDRKRCNJUPNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-17-16(18)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 293.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 777910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).