tert-butyl carbamate;2-propoxypropyl propanoate

C14H29NO5 — CID 145115546

IUPACtert-butyl carbamate;2-propoxypropyl propanoate
SMILESCC(C)(C)OC(N)=O.CCCOC(C)COC(=O)CC
InChIInChI=1S/C9H18O3.C5H11NO2/c1-4-6-11-8(3)7-12-9(10)5-2;1-5(2,3)8-4(6)7/h8H,4-7H2,1-3H3;1-3H3,(H2,6,7)
InChIKeyULUPGGZHOGKHOL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.63
Rot. Bonds6

About tert-butyl carbamate;2-propoxypropyl propanoate

tert-butyl carbamate;2-propoxypropyl propanoate (PubChem CID 145115546) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl carbamate;2-propoxypropyl propanoate.

Molecular Properties

Compound Nametert-butyl carbamate;2-propoxypropyl propanoate
PubChem CID145115546
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Nametert-butyl carbamate;2-propoxypropyl propanoate
SMILESCC(C)(C)OC(N)=O.CCCOC(C)COC(=O)CC
InChIInChI=1S/C9H18O3.C5H11NO2/c1-4-6-11-8(3)7-12-9(10)5-2;1-5(2,3)8-4(6)7/h8H,4-7H2,1-3H3;1-3H3,(H2,6,7)
InChIKeyULUPGGZHOGKHOL-UHFFFAOYSA-N
XLogP2.63
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl carbamate;2-(2-methylpropoxy)propyl propanoate;toluene
CID 145115480
2-propoxypropyl propanoate;toluene
CID 145115506
2-(2-cyclopropylethoxy)propyl propanoate
CID 145115500
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
propyl 3-propoxybutanoate
CID 175273522
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
acetic acid;1-methoxy-2-propoxypropane
CID 159297729
tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate
CID 66338285
2-tetradecoxypropyl tetradecanoate
CID 170841381
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl 3-[(2S)-hexan-2-yl]oxypropanoate
CID 89360486
[(2S)-2,3-diamino-2-methyl-3-oxopropyl] propanoate
CID 174658877

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;2-propoxypropyl propanoate?
The IUPAC name of tert-butyl carbamate;2-propoxypropyl propanoate (CID 145115546) is tert-butyl carbamate;2-propoxypropyl propanoate.
What is the SMILES notation for tert-butyl carbamate;2-propoxypropyl propanoate?
The canonical SMILES for tert-butyl carbamate;2-propoxypropyl propanoate is CC(C)(C)OC(N)=O.CCCOC(C)COC(=O)CC.
What is the InChIKey of tert-butyl carbamate;2-propoxypropyl propanoate?
The InChIKey is ULUPGGZHOGKHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.C5H11NO2/c1-4-6-11-8(3)7-12-9(10)5-2;1-5(2,3)8-4(6)7/h8H,4-7H2,1-3H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;2-propoxypropyl propanoate?
tert-butyl carbamate;2-propoxypropyl propanoate has a molecular weight of 291.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;2-propoxypropyl propanoate is sourced from PubChem (CID 145115546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).