[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone

C19H25NO4 — CID 124819828

IUPAC[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)cc1
InChIInChI=1S/C19H25NO4/c1-22-16-6-4-15(5-7-16)18(21)20-12-19(13-20)10-17(8-9-24-19)23-11-14-2-3-14/h4-7,14,17H,2-3,8-13H2,1H3/t17-/m0/s1
InChIKeySHIFOVWHWRSJHK-KRWDZBQOSA-N
MW331.41 g/mol
LogP2.50
Rot. Bonds5

About [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone

[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 124819828) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
PubChem CID124819828
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)cc1
InChIInChI=1S/C19H25NO4/c1-22-16-6-4-15(5-7-16)18(21)20-12-19(13-20)10-17(8-9-24-19)23-11-14-2-3-14/h4-7,14,17H,2-3,8-13H2,1H3/t17-/m0/s1
InChIKeySHIFOVWHWRSJHK-KRWDZBQOSA-N
XLogP2.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497
furan-3-yl-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797123
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4,5-difluoro-2-methylphenyl)methanone
CID 131654505
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(furan-2-yl)methanone
CID 124787501
(4-methoxyphenyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131655355
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,4-dimethoxyphenyl)methanone
CID 91907714
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
CID 131660368
cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131644026
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 124797121
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone (CID 124819828) is [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)cc1.
What is the InChIKey of [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is SHIFOVWHWRSJHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO4/c1-22-16-6-4-15(5-7-16)18(21)20-12-19(13-20)10-17(8-9-24-19)23-11-14-2-3-14/h4-7,14,17H,2-3,8-13H2,1H3/t17-/m0/s1.
What are the key properties of [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone?
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 331.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 124819828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).