3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide

C24H29FN2O3 — CID 46443051

IUPAC3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C24H29FN2O3/c1-27(15-6-16-30-22-13-11-20(25)12-14-22)24(29)19-9-5-10-21(17-19)26-23(28)18-7-3-2-4-8-18/h5,9-14,17-18H,2-4,6-8,15-16H2,1H3,(H,26,28)
InChIKeyYRZZZRUFSZCTEJ-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.89
Rot. Bonds8

About 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide

3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide (PubChem CID 46443051) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide
PubChem CID46443051
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide
SMILESCN(CCCOc1ccc(F)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C24H29FN2O3/c1-27(15-6-16-30-22-13-11-20(25)12-14-22)24(29)19-9-5-10-21(17-19)26-23(28)18-7-3-2-4-8-18/h5,9-14,17-18H,2-4,6-8,15-16H2,1H3,(H,26,28)
InChIKeyYRZZZRUFSZCTEJ-UHFFFAOYSA-N
XLogP4.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.89
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 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide (CID 46443051) is 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide is CN(CCCOc1ccc(F)cc1)C(=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide?
The InChIKey is YRZZZRUFSZCTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-27(15-6-16-30-22-13-11-20(25)12-14-22)24(29)19-9-5-10-21(17-19)26-23(28)18-7-3-2-4-8-18/h5,9-14,17-18H,2-4,6-8,15-16H2,1H3,(H,26,28).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide?
3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide has a molecular weight of 412.51 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzamide is sourced from PubChem (CID 46443051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).