6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide

C18H25FN2O2 — CID 138011120

IUPAC6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
InChIInChI=1S/C18H25FN2O2/c1-23-16-3-2-13(19)10-12(16)6-9-21-17(22)15-11-18(15)7-4-14(20)5-8-18/h2-3,10,14-15H,4-9,11,20H2,1H3,(H,21,22)
InChIKeyRCRPKWBIGIKYDR-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.40
Rot. Bonds5

About 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide

6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide (PubChem CID 138011120) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide
PubChem CID138011120
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide
SMILESCOc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2
InChIInChI=1S/C18H25FN2O2/c1-23-16-3-2-13(19)10-12(16)6-9-21-17(22)15-11-18(15)7-4-14(20)5-8-18/h2-3,10,14-15H,4-9,11,20H2,1H3,(H,21,22)
InChIKeyRCRPKWBIGIKYDR-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide
CID 138011123
(2R)-6-[(4-ethylphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26275088
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
6-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45170225
6-[(3-hydroxyphenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 56852963
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
CID 115155399
(2S)-N-[2-(2-methoxyphenyl)ethyl]-6-[(3S)-3-phenylbutyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42275265
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide (CID 138011120) is 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide is COc1ccc(F)cc1CCNC(=O)C1CC12CCC(N)CC2.
What is the InChIKey of 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide?
The InChIKey is RCRPKWBIGIKYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-16-3-2-13(19)10-12(16)6-9-21-17(22)15-11-18(15)7-4-14(20)5-8-18/h2-3,10,14-15H,4-9,11,20H2,1H3,(H,21,22).
What are the key properties of 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide?
6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 138011120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).