(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate

C20H29NO5 — CID 42903540

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(OC(=O)c1cc(C(C)C)cc(C(C)C)c1O)C(=O)N1CCOCC1
InChIInChI=1S/C20H29NO5/c1-12(2)15-10-16(13(3)4)18(22)17(11-15)20(24)26-14(5)19(23)21-6-8-25-9-7-21/h10-14,22H,6-9H2,1-5H3
InChIKeyQFXZOTNAZQNVPW-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.04
Rot. Bonds5

About (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate

(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate (PubChem CID 42903540) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
PubChem CID42903540
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(OC(=O)c1cc(C(C)C)cc(C(C)C)c1O)C(=O)N1CCOCC1
InChIInChI=1S/C20H29NO5/c1-12(2)15-10-16(13(3)4)18(22)17(11-15)20(24)26-14(5)19(23)21-6-8-25-9-7-21/h10-14,22H,6-9H2,1-5H3
InChIKeyQFXZOTNAZQNVPW-UHFFFAOYSA-N
XLogP3.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 40954545
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-chloro-5-nitrobenzoate
CID 46790477
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740
[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 99644909
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476429
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 26476427
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-(diethylsulfamoyl)-2-methylbenzoate
CID 55320395
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55377667
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate
CID 55326204
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41099390
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55308740

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate (CID 42903540) is (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate is CC(OC(=O)c1cc(C(C)C)cc(C(C)C)c1O)C(=O)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The InChIKey is QFXZOTNAZQNVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-12(2)15-10-16(13(3)4)18(22)17(11-15)20(24)26-14(5)19(23)21-6-8-25-9-7-21/h10-14,22H,6-9H2,1-5H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate has a molecular weight of 363.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 2-hydroxy-3,5-di(propan-2-yl)benzoate is sourced from PubChem (CID 42903540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).