tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate

C16H24N2O3 — CID 117472224

IUPACtert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(C2CNCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-12-5-4-6-13(9-12)14-11-17-7-8-20-14/h4-6,9,14,17H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyAQUYLFQDGXZIEP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.37
Rot. Bonds3

About tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate

tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate (PubChem CID 117472224) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
PubChem CID117472224
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(C2CNCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-12-5-4-6-13(9-12)14-11-17-7-8-20-14/h4-6,9,14,17H,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyAQUYLFQDGXZIEP-UHFFFAOYSA-N
XLogP2.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
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tert-butyl N-[[5-(3-cyanophenyl)-2-morpholin-2-ylfuran-3-yl]methyl]carbamate
CID 174900584
tert-butyl N-(2,3-dimethyl-5-morpholin-2-ylphenyl)carbamate
CID 115111844
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
tert-butyl N-[[3-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 56611439
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[4-(pyrrolidin-3-ylmethyl)phenyl]methyl]carbamate
CID 138463428
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate (CID 117472224) is tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(C2CNCCO2)c1.
What is the InChIKey of tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate?
The InChIKey is AQUYLFQDGXZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-12-5-4-6-13(9-12)14-11-17-7-8-20-14/h4-6,9,14,17H,7-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate?
tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 117472224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).