ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate

C14H24N2O5 — CID 83098778

IUPACethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C14H24N2O5/c1-4-21-13(18)6-5-12(17)16-7-8-20-9-11(16)14(19)15-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyZDYMMUWYRWUGDD-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.08
Rot. Bonds6

About ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate

ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate (PubChem CID 83098778) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
PubChem CID83098778
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nameethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C14H24N2O5/c1-4-21-13(18)6-5-12(17)16-7-8-20-9-11(16)14(19)15-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyZDYMMUWYRWUGDD-UHFFFAOYSA-N
XLogP0.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
4-[(2S)-2-aminopentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107570452
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
4-[3-(ethylamino)-2-methylpropanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098665
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate (CID 83098778) is ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate is CCOC(=O)CCC(=O)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate?
The InChIKey is ZDYMMUWYRWUGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-21-13(18)6-5-12(17)16-7-8-20-9-11(16)14(19)15-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19).
What are the key properties of ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate?
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate has a molecular weight of 300.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate is sourced from PubChem (CID 83098778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).