tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate

C16H32N2O4 — CID 69195735

IUPACtert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1CCO[C@H](OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O4/c1-15(2,3)21-13-12-18(10-11-20-13)9-7-8-17-14(19)22-16(4,5)6/h13H,7-12H2,1-6H3,(H,17,19)/t13-/m1/s1
InChIKeyHQVIWNXQCYKBEC-CYBMUJFWSA-N
MW316.44 g/mol
LogP2.37
Rot. Bonds5

About tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate

tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate (PubChem CID 69195735) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate
PubChem CID69195735
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Nametert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCN1CCO[C@H](OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O4/c1-15(2,3)21-13-12-18(10-11-20-13)9-7-8-17-14(19)22-16(4,5)6/h13H,7-12H2,1-6H3,(H,17,19)/t13-/m1/s1
InChIKeyHQVIWNXQCYKBEC-CYBMUJFWSA-N
XLogP2.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propyl]carbamate
CID 124889856
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl N-[3-[4-(3,4,5-trifluorophenyl)piperidin-1-yl]propyl]carbamate
CID 22729485
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
tert-butyl N-[2-[[N'-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885562
tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
CID 168699074

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate (CID 69195735) is tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate is CC(C)(C)OC(=O)NCCCN1CCO[C@H](OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate?
The InChIKey is HQVIWNXQCYKBEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-15(2,3)21-13-12-18(10-11-20-13)9-7-8-17-14(19)22-16(4,5)6/h13H,7-12H2,1-6H3,(H,17,19)/t13-/m1/s1.
What are the key properties of tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate?
tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate has a molecular weight of 316.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate is sourced from PubChem (CID 69195735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).