[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone

C18H29N3O3 — CID 97397948

IUPAC[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
SMILESCN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C18H29N3O3/c1-19(2)8-9-20-10-12-23-15-18(13-20)6-4-7-21(14-18)17(22)16-5-3-11-24-16/h3,5,11H,4,6-10,12-15H2,1-2H3/t18-/m0/s1
InChIKeyGIDLNRIBWKITNO-SFHVURJKSA-N
MW335.45 g/mol
LogP1.40
Rot. Bonds4

About [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone

[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone (PubChem CID 97397948) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
PubChem CID97397948
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone
SMILESCN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1
InChIInChI=1S/C18H29N3O3/c1-19(2)8-9-20-10-12-23-15-18(13-20)6-4-7-21(14-18)17(22)16-5-3-11-24-16/h3,5,11H,4,6-10,12-15H2,1-2H3/t18-/m0/s1
InChIKeyGIDLNRIBWKITNO-SFHVURJKSA-N
XLogP1.40
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3-hydroxyphenyl)methanone
CID 97397952
furan-2-yl-[11-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 134070456
[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155850601
1-[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745816
(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(1-methylpyrrol-2-yl)methanone
CID 134070386
(6R)-11-ethyl-N,N-dimethyl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97372899
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 131661217
furan-2-yl-[(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97483709
furan-2-yl-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131649165
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
CID 97397894
1-[(6S)-8-(furan-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-3-hydroxypropan-1-one
CID 97396617
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872

Frequently Asked Questions

What is the IUPAC name of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone (CID 97397948) is [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone is CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1.
What is the InChIKey of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone?
The InChIKey is GIDLNRIBWKITNO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-19(2)8-9-20-10-12-23-15-18(13-20)6-4-7-21(14-18)17(22)16-5-3-11-24-16/h3,5,11H,4,6-10,12-15H2,1-2H3/t18-/m0/s1.
What are the key properties of [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone?
[(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 97397948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).