N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide

C19H24FNO3 — CID 71847239

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)C1CC1c1cccc(F)c1
InChIInChI=1S/C19H24FNO3/c20-14-3-1-2-13(10-14)16-11-17(16)18(22)21-15-4-7-24-19(12-15)5-8-23-9-6-19/h1-3,10,15-17H,4-9,11-12H2,(H,21,22)
InChIKeyIYEVITCCXYZZFK-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.77
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 71847239) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID71847239
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC2(CCOCC2)C1)C1CC1c1cccc(F)c1
InChIInChI=1S/C19H24FNO3/c20-14-3-1-2-13(10-14)16-11-17(16)18(22)21-15-4-7-24-19(12-15)5-8-23-9-6-19/h1-3,10,15-17H,4-9,11-12H2,(H,21,22)
InChIKeyIYEVITCCXYZZFK-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91785874
1-Cyclopropyl-3-ethyl-1-{9-[2-(3-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}urea
CID 91909264
1-[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-2-(2-fluorophenyl)-1-ethanone
CID 91918009
N-cyclopropyl-2-[9-(3-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]acetamide
CID 91919393
N-cyclopropyl-N'-ethyl-N-{9-[2-(2-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}urea
CID 91919857
1-Cyclopropyl-1-{9-[2-(2-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}-3-(propan-2-YL)urea
CID 91919904
1-Cyclopropyl-1-{9-[2-(3-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}-3-(propan-2-YL)urea
CID 91919908
cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 129423977
4-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)oxane-4-carboxamide
CID 129567322
2-(2,3-dihydro-1H-inden-2-yl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]acetamide
CID 91769007
1-[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl]-4-phenyl-1-butanone
CID 91918012
1-[4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-YL]-3-phenylpropan-1-one
CID 91918031

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 71847239) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide is O=C(NC1CCOC2(CCOCC2)C1)C1CC1c1cccc(F)c1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is IYEVITCCXYZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c20-14-3-1-2-13(10-14)16-11-17(16)18(22)21-15-4-7-24-19(12-15)5-8-23-9-6-19/h1-3,10,15-17H,4-9,11-12H2,(H,21,22).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71847239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).