tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate

C20H32N2O3 — CID 113461855

IUPACtert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate
SMILESCc1cccc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C20H32N2O3/c1-14-8-7-9-18(16(14)3)21-15(2)12-17-13-24-11-10-22(17)19(23)25-20(4,5)6/h7-9,15,17,21H,10-13H2,1-6H3
InChIKeyBHAQZGMNEKTCQR-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate

tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate (PubChem CID 113461855) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate
PubChem CID113461855
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate
SMILESCc1cccc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C20H32N2O3/c1-14-8-7-9-18(16(14)3)21-15(2)12-17-13-24-11-10-22(17)19(23)25-20(4,5)6/h7-9,15,17,21H,10-13H2,1-6H3
InChIKeyBHAQZGMNEKTCQR-UHFFFAOYSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate
CID 103723577
tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate
CID 107648449
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
tert-butyl 3-[2-[(1-propylpyrazol-4-yl)amino]propyl]morpholine-4-carboxylate
CID 75458582
tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate
CID 113461919
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl 3-[2-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]morpholine-4-carboxylate
CID 113477378
tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
CID 113479100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate (CID 113461855) is tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate is Cc1cccc(NC(C)CC2COCCN2C(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate?
The InChIKey is BHAQZGMNEKTCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14-8-7-9-18(16(14)3)21-15(2)12-17-13-24-11-10-22(17)19(23)25-20(4,5)6/h7-9,15,17,21H,10-13H2,1-6H3.
What are the key properties of tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate is sourced from PubChem (CID 113461855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).