3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one

C16H27NO4 — CID 167063591

IUPAC3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one
SMILESCC(C)C(=O)C1(OCC(C)C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H27NO4/c1-12(2)15(19)16(4-5-16)21-11-13(3)14(18)10-17-6-8-20-9-7-17/h12-13H,4-11H2,1-3H3
InChIKeyBPNSSAZUJVXAES-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.30
Rot. Bonds8

About 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one

3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one (PubChem CID 167063591) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one
PubChem CID167063591
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one
SMILESCC(C)C(=O)C1(OCC(C)C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H27NO4/c1-12(2)15(19)16(4-5-16)21-11-13(3)14(18)10-17-6-8-20-9-7-17/h12-13H,4-11H2,1-3H3
InChIKeyBPNSSAZUJVXAES-UHFFFAOYSA-N
XLogP1.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one
CID 167327792
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-one
CID 107896407
methyl 2-morpholin-4-ylacetate
CID 1268178
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757674
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
N-(1,4-dimethylpiperidin-4-yl)-2-morpholin-4-ylacetamide
CID 142326973
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one?
The IUPAC name of 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one (CID 167063591) is 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one.
What is the SMILES notation for 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one?
The canonical SMILES for 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one is CC(C)C(=O)C1(OCC(C)C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one?
The InChIKey is BPNSSAZUJVXAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-12(2)15(19)16(4-5-16)21-11-13(3)14(18)10-17-6-8-20-9-7-17/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one?
3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one has a molecular weight of 297.40 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one is sourced from PubChem (CID 167063591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).