1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide

C20H29FN2O2 — CID 134156722

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)NCCCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-19(2)15-20(19,16-5-7-17(21)8-6-16)18(24)22-9-3-4-10-23-11-13-25-14-12-23/h5-8H,3-4,9-15H2,1-2H3,(H,22,24)
InChIKeyUBGWPCADLKGFKD-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.72
Rot. Bonds7

About 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide (PubChem CID 134156722) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
PubChem CID134156722
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)NCCCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-19(2)15-20(19,16-5-7-17(21)8-6-16)18(24)22-9-3-4-10-23-11-13-25-14-12-23/h5-8H,3-4,9-15H2,1-2H3,(H,22,24)
InChIKeyUBGWPCADLKGFKD-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.72
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 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide (CID 134156722) is 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide is CC1(C)CC1(C(=O)NCCCCN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide?
The InChIKey is UBGWPCADLKGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-19(2)15-20(19,16-5-7-17(21)8-6-16)18(24)22-9-3-4-10-23-11-13-25-14-12-23/h5-8H,3-4,9-15H2,1-2H3,(H,22,24).
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-(4-morpholin-4-ylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134156722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).