1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate

C18H27NO3 — CID 3151287

IUPAC1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
SMILESCC(CN1CCOCC1)OC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NO3/c1-14(13-19-9-11-21-12-10-19)22-17(20)15-5-7-16(8-6-15)18(2,3)4/h5-8,14H,9-13H2,1-4H3
InChIKeyBEXIDRCZUGWGPI-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.86
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate

1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate (PubChem CID 3151287) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
PubChem CID3151287
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
SMILESCC(CN1CCOCC1)OC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27NO3/c1-14(13-19-9-11-21-12-10-19)22-17(20)15-5-7-16(8-6-15)18(2,3)4/h5-8,14H,9-13H2,1-4H3
InChIKeyBEXIDRCZUGWGPI-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
1-morpholin-4-ylpropan-2-yl 2,4-dimethylbenzoate
CID 75399143
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate (CID 3151287) is 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate is CC(CN1CCOCC1)OC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate?
The InChIKey is BEXIDRCZUGWGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(13-19-9-11-21-12-10-19)22-17(20)15-5-7-16(8-6-15)18(2,3)4/h5-8,14H,9-13H2,1-4H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate?
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate has a molecular weight of 305.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate is sourced from PubChem (CID 3151287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).