tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate

C13H27NO4 — CID 143288950

IUPACtert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate
SMILESCOC(C)(C)OCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-10(8-9-17-13(5,6)16-7)14-11(15)18-12(2,3)4/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyDKYWVCISMNEEKB-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.69
Rot. Bonds6

About tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate

tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate (PubChem CID 143288950) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate
PubChem CID143288950
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nametert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate
SMILESCOC(C)(C)OCCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO4/c1-10(8-9-17-13(5,6)16-7)14-11(15)18-12(2,3)4/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyDKYWVCISMNEEKB-UHFFFAOYSA-N
XLogP2.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
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tert-butyl N-[(2R)-heptan-2-yl]carbamate
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tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pentanoic acid
CID 170107362
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl N-[4-(2-methylhydrazinyl)-4-oxobutan-2-yl]carbamate
CID 116849757
tert-butyl N-[(2S)-5-oxooctan-2-yl]carbamate
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tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
CID 103901727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate (CID 143288950) is tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate is COC(C)(C)OCCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate?
The InChIKey is DKYWVCISMNEEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-10(8-9-17-13(5,6)16-7)14-11(15)18-12(2,3)4/h10H,8-9H2,1-7H3,(H,14,15).
What are the key properties of tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate?
tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate has a molecular weight of 261.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate is sourced from PubChem (CID 143288950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).