N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide

C26H29NO4 — CID 175240156

IUPACN-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C2=CC(C=O)CC2)cc1OC1CCCC1
InChIInChI=1S/C26H29NO4/c1-30-24-14-12-21(16-25(24)31-23-9-5-6-10-23)26(29)27(17-19-7-3-2-4-8-19)22-13-11-20(15-22)18-28/h2-4,7-8,12,14-16,18,20,23H,5-6,9-11,13,17H2,1H3
InChIKeyFKNUTFWCPYLWFG-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.15
Rot. Bonds8

About N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide

N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide (PubChem CID 175240156) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide
PubChem CID175240156
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC NameN-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C2=CC(C=O)CC2)cc1OC1CCCC1
InChIInChI=1S/C26H29NO4/c1-30-24-14-12-21(16-25(24)31-23-9-5-6-10-23)26(29)27(17-19-7-3-2-4-8-19)22-13-11-20(15-22)18-28/h2-4,7-8,12,14-16,18,20,23H,5-6,9-11,13,17H2,1H3
InChIKeyFKNUTFWCPYLWFG-UHFFFAOYSA-N
XLogP5.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide?
The IUPAC name of N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide (CID 175240156) is N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide.
What is the SMILES notation for N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide?
The canonical SMILES for N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide is COc1ccc(C(=O)N(Cc2ccccc2)C2=CC(C=O)CC2)cc1OC1CCCC1.
What is the InChIKey of N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide?
The InChIKey is FKNUTFWCPYLWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-30-24-14-12-21(16-25(24)31-23-9-5-6-10-23)26(29)27(17-19-7-3-2-4-8-19)22-13-11-20(15-22)18-28/h2-4,7-8,12,14-16,18,20,23H,5-6,9-11,13,17H2,1H3.
What are the key properties of N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide?
N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide has a molecular weight of 419.52 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclopentyloxy-N-(3-formylcyclopenten-1-yl)-4-methoxybenzamide is sourced from PubChem (CID 175240156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).