tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate

C18H28N2O3 — CID 103554420

IUPACtert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate
SMILESCCc1cccc(C(N)C2COCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-5-13-7-6-8-14(11-13)16(19)15-12-22-10-9-20(15)17(21)23-18(2,3)4/h6-8,11,15-16H,5,9-10,12,19H2,1-4H3
InChIKeyVXZSVFDEIULRHK-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate

tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate (PubChem CID 103554420) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate
PubChem CID103554420
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate
SMILESCCc1cccc(C(N)C2COCCN2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-5-13-7-6-8-14(11-13)16(19)15-12-22-10-9-20(15)17(21)23-18(2,3)4/h6-8,11,15-16H,5,9-10,12,19H2,1-4H3
InChIKeyVXZSVFDEIULRHK-UHFFFAOYSA-N
XLogP2.88
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate (CID 103554420) is tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate is CCc1cccc(C(N)C2COCCN2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate?
The InChIKey is VXZSVFDEIULRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-13-7-6-8-14(11-13)16(19)15-12-22-10-9-20(15)17(21)23-18(2,3)4/h6-8,11,15-16H,5,9-10,12,19H2,1-4H3.
What are the key properties of tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate?
tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).