(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C15H19ClN2O2 — CID 99633932

IUPAC(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H19ClN2O2/c1-11-3-2-4-12(16)13(11)17-14(19)18-7-5-15(9-18)6-8-20-10-15/h2-4H,5-10H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyUJLBANBNDMSPBR-HNNXBMFYSA-N
MW294.78 g/mol
LogP3.29
Rot. Bonds1

About (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 99633932) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID99633932
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H19ClN2O2/c1-11-3-2-4-12(16)13(11)17-14(19)18-7-5-15(9-18)6-8-20-10-15/h2-4H,5-10H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyUJLBANBNDMSPBR-HNNXBMFYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098
(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 71971550
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99606652
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
CID 124615985
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124577031
N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99821838
(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99107522
(5R)-N-dibenzofuran-3-yl-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97017490
ethyl (3R)-3-benzyl-1-[(2-chloro-6-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42396158
4-carbamothioyl-N-(2-chloro-6-methylphenyl)oxane-4-carboxamide
CID 66255526
(5R)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124620773

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 99633932) is (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1cccc(Cl)c1NC(=O)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is UJLBANBNDMSPBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-3-2-4-12(16)13(11)17-14(19)18-7-5-15(9-18)6-8-20-10-15/h2-4H,5-10H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 99633932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).