4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide

C22H27NO4 — CID 55792742

IUPAC4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc(C)c2)ccc1OC1CCCC1
InChIInChI=1S/C22H27NO4/c1-16-6-5-9-19(14-16)26-13-12-23-22(24)17-10-11-20(21(15-17)25-2)27-18-7-3-4-8-18/h5-6,9-11,14-15,18H,3-4,7-8,12-13H2,1-2H3,(H,23,24)
InChIKeyNPCYADOJIHAXEP-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.13
Rot. Bonds8

About 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide

4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 55792742) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID55792742
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCOc2cccc(C)c2)ccc1OC1CCCC1
InChIInChI=1S/C22H27NO4/c1-16-6-5-9-19(14-16)26-13-12-23-22(24)17-10-11-20(21(15-17)25-2)27-18-7-3-4-8-18/h5-6,9-11,14-15,18H,3-4,7-8,12-13H2,1-2H3,(H,23,24)
InChIKeyNPCYADOJIHAXEP-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 55833905
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 55792742) is 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide is COc1cc(C(=O)NCCOc2cccc(C)c2)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is NPCYADOJIHAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-16-6-5-9-19(14-16)26-13-12-23-22(24)17-10-11-20(21(15-17)25-2)27-18-7-3-4-8-18/h5-6,9-11,14-15,18H,3-4,7-8,12-13H2,1-2H3,(H,23,24).
What are the key properties of 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 55792742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).