tert-butyl N-(3-formamidooxypropyl)carbamate

C9H18N2O4 — CID 146522686

IUPACtert-butyl N-(3-formamidooxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCONC=O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)10-5-4-6-14-11-7-12/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyOOGCLAUFDJKAJT-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.58
Rot. Bonds6

About tert-butyl N-(3-formamidooxypropyl)carbamate

tert-butyl N-(3-formamidooxypropyl)carbamate (PubChem CID 146522686) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is tert-butyl N-(3-formamidooxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-formamidooxypropyl)carbamate
PubChem CID146522686
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Nametert-butyl N-(3-formamidooxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCONC=O
InChIInChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)10-5-4-6-14-11-7-12/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyOOGCLAUFDJKAJT-UHFFFAOYSA-N
XLogP0.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-[3-(ethoxyamino)oxypropylamino]propyl]carbamate
CID 142525201
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-formamidooxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-formamidooxypropyl)carbamate (CID 146522686) is tert-butyl N-(3-formamidooxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-formamidooxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-formamidooxypropyl)carbamate is CC(C)(C)OC(=O)NCCCONC=O.
What is the InChIKey of tert-butyl N-(3-formamidooxypropyl)carbamate?
The InChIKey is OOGCLAUFDJKAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)10-5-4-6-14-11-7-12/h7H,4-6H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of tert-butyl N-(3-formamidooxypropyl)carbamate?
tert-butyl N-(3-formamidooxypropyl)carbamate has a molecular weight of 218.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-formamidooxypropyl)carbamate is sourced from PubChem (CID 146522686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).