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

C16H23NO3 — CID 99133680

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCCOc1cc(CNC(=O)C2CCCC2)ccc1OC
InChIInChI=1S/C16H23NO3/c1-3-20-15-10-12(8-9-14(15)19-2)11-17-16(18)13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyCQDIFCVVKIHFMZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.90
Rot. Bonds6

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

N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide (PubChem CID 99133680) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
PubChem CID99133680
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCCOc1cc(CNC(=O)C2CCCC2)ccc1OC
InChIInChI=1S/C16H23NO3/c1-3-20-15-10-12(8-9-14(15)19-2)11-17-16(18)13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyCQDIFCVVKIHFMZ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94456240
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560240
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46470684
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-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide (CID 99133680) is N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide is CCOc1cc(CNC(=O)C2CCCC2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is CQDIFCVVKIHFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-15-10-12(8-9-14(15)19-2)11-17-16(18)13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 99133680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).