N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide

C15H21NO4 — CID 7741672

IUPACN-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C15H21NO4/c1-18-12-8-11(9-13(19-2)14(12)20-3)16-15(17)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyFKISFUGKEWFCER-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.84
Rot. Bonds5

About N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide

N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide (PubChem CID 7741672) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
PubChem CID7741672
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C15H21NO4/c1-18-12-8-11(9-13(19-2)14(12)20-3)16-15(17)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,16,17)
InChIKeyFKISFUGKEWFCER-UHFFFAOYSA-N
XLogP2.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494
4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149494
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108984057
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide (CID 7741672) is N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide is COc1cc(NC(=O)C2CCCC2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide?
The InChIKey is FKISFUGKEWFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-12-8-11(9-13(19-2)14(12)20-3)16-15(17)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide?
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.84, 5 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)cyclopentanecarboxamide is sourced from PubChem (CID 7741672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).