4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide

C22H33NO3 — CID 58413561

IUPAC4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)N[C@@H]2CCCC2=O)cc1
InChIInChI=1S/C22H33NO3/c1-2-3-4-5-6-7-8-9-17-26-19-15-13-18(14-16-19)22(25)23-20-11-10-12-21(20)24/h13-16,20H,2-12,17H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyWRUNOJNZZZECBD-HXUWFJFHSA-N
MW359.51 g/mol
LogP5.06
Rot. Bonds12

About 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide

4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide (PubChem CID 58413561) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide.

Molecular Properties

Compound Name4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
PubChem CID58413561
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)N[C@@H]2CCCC2=O)cc1
InChIInChI=1S/C22H33NO3/c1-2-3-4-5-6-7-8-9-17-26-19-15-13-18(14-16-19)22(25)23-20-11-10-12-21(20)24/h13-16,20H,2-12,17H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyWRUNOJNZZZECBD-HXUWFJFHSA-N
XLogP5.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide 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

4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide;4-dodecoxy-N-[(1R)-2-oxocyclopentyl]benzamide;4-heptan-3-yl-N-[(1R)-2-oxocyclopentyl]benzamide;4-nonoxy-N-[(1R)-2-oxocyclopentyl]benzamide;N-[(1R)-2-oxocyclopentyl]cyclohexanecarboxamide;N-[(1R)-2-oxocyclopentyl]cyclopentanecarboxamide;N-[(1R)-2-oxocyclopentyl]-4-pentadecan-7-ylbenzamide;N-[(1R)-2-oxocyclopentyl]-4-undecan-5-ylbenzamide;N-[(1R)-2-oxocyclopentyl]-4-undecoxybenzamide
CID 158803994
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-heptoxy-N-methylbenzamide
CID 3291691
4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
4-pentoxybenzohydrazide
CID 2727702
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 21361598
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
N-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
4-butoxy-N-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
CID 56835672

Frequently Asked Questions

What is the IUPAC name of 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide?
The IUPAC name of 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide (CID 58413561) is 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide.
What is the SMILES notation for 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide?
The canonical SMILES for 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide is CCCCCCCCCCOc1ccc(C(=O)N[C@@H]2CCCC2=O)cc1.
What is the InChIKey of 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide?
The InChIKey is WRUNOJNZZZECBD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33NO3/c1-2-3-4-5-6-7-8-9-17-26-19-15-13-18(14-16-19)22(25)23-20-11-10-12-21(20)24/h13-16,20H,2-12,17H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide?
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide has a molecular weight of 359.51 g/mol, XLogP of 5.06, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide is sourced from PubChem (CID 58413561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).