8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H35N3O2 — CID 95897366

IUPAC8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN([C@@H](C)CCN(C)C)CC2)OC1=O
InChIInChI=1S/C18H35N3O2/c1-15(2)6-11-21-14-18(23-17(21)22)8-12-20(13-9-18)16(3)7-10-19(4)5/h15-16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyKZSSXFJGUASKAW-INIZCTEOSA-N
MW325.50 g/mol
LogP2.66
Rot. Bonds7

About 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95897366) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95897366
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN([C@@H](C)CCN(C)C)CC2)OC1=O
InChIInChI=1S/C18H35N3O2/c1-15(2)6-11-21-14-18(23-17(21)22)8-12-20(13-9-18)16(3)7-10-19(4)5/h15-16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyKZSSXFJGUASKAW-INIZCTEOSA-N
XLogP2.66
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95897366) is 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)CCN1CC2(CCN([C@@H](C)CCN(C)C)CC2)OC1=O.
What is the InChIKey of 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KZSSXFJGUASKAW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-15(2)6-11-21-14-18(23-17(21)22)8-12-20(13-9-18)16(3)7-10-19(4)5/h15-16H,6-14H2,1-5H3/t16-/m0/s1.
What are the key properties of 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 325.50 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95897366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).