N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide

C17H25NO3 — CID 38335556

IUPACN-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC2CCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-10-9-14(12-16(15)21-2)17(19)18-11-5-8-13-6-3-4-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyBQDRDKKFRKVHHQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.40
Rot. Bonds7

About N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide

N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide (PubChem CID 38335556) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
PubChem CID38335556
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC2CCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-10-9-14(12-16(15)21-2)17(19)18-11-5-8-13-6-3-4-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19)
InChIKeyBQDRDKKFRKVHHQ-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide (CID 38335556) is N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCC2CCCC2)cc1OC.
What is the InChIKey of N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide?
The InChIKey is BQDRDKKFRKVHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-10-9-14(12-16(15)21-2)17(19)18-11-5-8-13-6-3-4-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide?
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 38335556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).