N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide

C16H23NO3 — CID 6470360

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-11(17-16(18)12-6-4-5-7-12)13-8-9-14(19-2)15(10-13)20-3/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyLWCHMJSEIPNFPZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide (PubChem CID 6470360) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide
PubChem CID6470360
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-11(17-16(18)12-6-4-5-7-12)13-8-9-14(19-2)15(10-13)20-3/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyLWCHMJSEIPNFPZ-UHFFFAOYSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide (CID 6470360) is N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide is COc1ccc(C(C)NC(=O)C2CCCC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is LWCHMJSEIPNFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(17-16(18)12-6-4-5-7-12)13-8-9-14(19-2)15(10-13)20-3/h8-12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 6470360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).