(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane

C19H27NO3 — CID 97477567

IUPAC(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCOc1ccccc1CN1CC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C19H27NO3/c1-21-18-5-3-2-4-16(18)11-20-9-8-19(14-20)10-17(13-23-19)22-12-15-6-7-15/h2-5,15,17H,6-14H2,1H3/t17-,19-/m0/s1
InChIKeyVOJMRUVCHSQUHD-HKUYNNGSSA-N
MW317.43 g/mol
LogP2.86
Rot. Bonds6

About (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane

(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97477567) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97477567
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCOc1ccccc1CN1CC[C@]2(C[C@H](OCC3CC3)CO2)C1
InChIInChI=1S/C19H27NO3/c1-21-18-5-3-2-4-16(18)11-20-9-8-19(14-20)10-17(13-23-19)22-12-15-6-7-15/h2-5,15,17H,6-14H2,1H3/t17-,19-/m0/s1
InChIKeyVOJMRUVCHSQUHD-HKUYNNGSSA-N
XLogP2.86
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethoxy)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 134076676
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
(3R,5S)-3-(cyclopropylmethoxy)-7-[(3-methylthiophen-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97419940
(3S)-3-(cyclopropylmethoxy)-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418851
(3R,5R)-7-[(2-fluorophenyl)methyl]-3-methoxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394141
(3R,5S)-7-[(4-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419962
7-[(2-methoxy-3-pyridinyl)methyl]-3-phenoxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071071
(8S)-8-ethoxy-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124818022
3-(cyclopropylmethoxy)-8-[(5-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131645179
(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97477123
3-(cyclopropylmethoxy)-8-(quinolin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 131639428
(3R)-8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97418763

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane (CID 97477567) is (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane is COc1ccccc1CN1CC[C@]2(C[C@H](OCC3CC3)CO2)C1.
What is the InChIKey of (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is VOJMRUVCHSQUHD-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H27NO3/c1-21-18-5-3-2-4-16(18)11-20-9-8-19(14-20)10-17(13-23-19)22-12-15-6-7-15/h2-5,15,17H,6-14H2,1H3/t17-,19-/m0/s1.
What are the key properties of (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
(3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 317.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(cyclopropylmethoxy)-7-[(2-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97477567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).