8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide

C20H27FN2O2 — CID 146105629

IUPAC8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide
SMILESNC1CCOC2(C1)CC(C(=O)N(Cc1ccccc1F)C1CCC1)C2
InChIInChI=1S/C20H27FN2O2/c21-18-7-2-1-4-14(18)13-23(17-5-3-6-17)19(24)15-10-20(11-15)12-16(22)8-9-25-20/h1-2,4,7,15-17H,3,5-6,8-13,22H2
InChIKeyLOMIFNAMRKUFLW-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.99
Rot. Bonds4

About 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide

8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide (PubChem CID 146105629) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide
PubChem CID146105629
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide
SMILESNC1CCOC2(C1)CC(C(=O)N(Cc1ccccc1F)C1CCC1)C2
InChIInChI=1S/C20H27FN2O2/c21-18-7-2-1-4-14(18)13-23(17-5-3-6-17)19(24)15-10-20(11-15)12-16(22)8-9-25-20/h1-2,4,7,15-17H,3,5-6,8-13,22H2
InChIKeyLOMIFNAMRKUFLW-UHFFFAOYSA-N
XLogP2.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79912806
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
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CID 134003179
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
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2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
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N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71920081

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide (CID 146105629) is 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide is NC1CCOC2(C1)CC(C(=O)N(Cc1ccccc1F)C1CCC1)C2.
What is the InChIKey of 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide?
The InChIKey is LOMIFNAMRKUFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-7-2-1-4-14(18)13-23(17-5-3-6-17)19(24)15-10-20(11-15)12-16(22)8-9-25-20/h1-2,4,7,15-17H,3,5-6,8-13,22H2.
What are the key properties of 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide?
8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-cyclobutyl-N-[(2-fluorophenyl)methyl]-5-oxaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 146105629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).