N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide

C16H23NO4 — CID 95945674

IUPACN-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CCCC2)c(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-19-13-9-8-12(14(20-2)15(13)21-3)10-17-16(18)11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyRUFTYKKUQIEPGI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.52
Rot. Bonds6

About N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide

N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide (PubChem CID 95945674) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
PubChem CID95945674
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CCCC2)c(OC)c1OC
InChIInChI=1S/C16H23NO4/c1-19-13-9-8-12(14(20-2)15(13)21-3)10-17-16(18)11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyRUFTYKKUQIEPGI-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

Analyze N-[(2,3,4-trimethoxyphenyl)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

1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94049674
(3S)-1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125042648
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 95279316
(3R)-1-[(4-fluorophenyl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94015942
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
1-[(4-methylphenyl)methylsulfonyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46762829
N-[(4-methylphenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6966288
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide (CID 95945674) is N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide is COc1ccc(CNC(=O)C2CCCC2)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is RUFTYKKUQIEPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-9-8-12(14(20-2)15(13)21-3)10-17-16(18)11-6-4-5-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide?
N-[(2,3,4-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-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 95945674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).