tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H28N2O6 — CID 59259685

IUPACtert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(=O)NCCCON(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O6/c1-11(18)16-9-8-10-21-17(12(19)22-14(2,3)4)13(20)23-15(5,6)7/h8-10H2,1-7H3,(H,16,18)
InChIKeyONZJHMLDUNLBMW-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.62
Rot. Bonds5

About tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 59259685) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID59259685
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Nametert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(=O)NCCCON(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O6/c1-11(18)16-9-8-10-21-17(12(19)22-14(2,3)4)13(20)23-15(5,6)7/h8-10H2,1-7H3,(H,16,18)
InChIKeyONZJHMLDUNLBMW-UHFFFAOYSA-N
XLogP2.62
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[2-(2-methoxyethylamino)ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane
CID 161133632
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
N-(3-acetamidopropyl)acetamide
CID 5147555
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
tert-butyl N,N-bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 11800012
tert-butyl N-methyl-N-[3-(phenylmethoxycarbonylamino)propoxy]carbamate
CID 46915573
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[2-[2-[2-[2-[2-[2-[bis[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 129175990
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717
N-[4-(tert-butylamino)butyl]acetamide
CID 139573721

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 59259685) is tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(=O)NCCCON(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is ONZJHMLDUNLBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-11(18)16-9-8-10-21-17(12(19)22-14(2,3)4)13(20)23-15(5,6)7/h8-10H2,1-7H3,(H,16,18).
What are the key properties of tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-acetamidopropoxy)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 59259685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).