N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C19H26N2O2 — CID 99619266

IUPACN-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C1CCC1)N1CCOC2(CCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18(21-12-13-23-19(14-21)10-5-11-19)20-17(16-8-4-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,22)/t17-/m1/s1
InChIKeyYZFQZGOXZCGVFT-QGZVFWFLSA-N
MW314.43 g/mol
LogP3.49
Rot. Bonds3

About N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 99619266) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID99619266
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C1CCC1)N1CCOC2(CCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18(21-12-13-23-19(14-21)10-5-11-19)20-17(16-8-4-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,22)/t17-/m1/s1
InChIKeyYZFQZGOXZCGVFT-QGZVFWFLSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 125446395
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CID 86880652
N-[cyclopentyl-(4-fluorophenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
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(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 139009117
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771103
N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 91646674
N-(1-cyclobutylethyl)-9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 146114368
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 99619266) is N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is O=C(N[C@H](c1ccccc1)C1CCC1)N1CCOC2(CCC2)C1.
What is the InChIKey of N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is YZFQZGOXZCGVFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(21-12-13-23-19(14-21)10-5-11-19)20-17(16-8-4-9-16)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 99619266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).