N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide

C16H23NO2 — CID 110781731

IUPACN-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCCc1cc(CNC(=O)C2CCCC2)ccc1OC
InChIInChI=1S/C16H23NO2/c1-3-13-10-12(8-9-15(13)19-2)11-17-16(18)14-6-4-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyYBHUITNWRXMUAH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.06
Rot. Bonds5

About N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide

N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide (PubChem CID 110781731) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
PubChem CID110781731
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCCc1cc(CNC(=O)C2CCCC2)ccc1OC
InChIInChI=1S/C16H23NO2/c1-3-13-10-12(8-9-15(13)19-2)11-17-16(18)14-6-4-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyYBHUITNWRXMUAH-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
CID 115191824
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
N-[2-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111200375

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide (CID 110781731) is N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide is CCc1cc(CNC(=O)C2CCCC2)ccc1OC.
What is the InChIKey of N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is YBHUITNWRXMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-10-12(8-9-15(13)19-2)11-17-16(18)14-6-4-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 110781731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).