tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate

C15H20N2O5 — CID 174622949

IUPACtert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1cccc(OC(N)=O)c1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-8-7-12(18)10-5-4-6-11(9-10)21-13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyPYMMOLOKMIGPKH-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.24
Rot. Bonds5

About tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate

tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate (PubChem CID 174622949) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate
PubChem CID174622949
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nametert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1cccc(OC(N)=O)c1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-8-7-12(18)10-5-4-6-11(9-10)21-13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyPYMMOLOKMIGPKH-UHFFFAOYSA-N
XLogP2.24
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543185
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[5-(diaminomethylideneamino)naphthalen-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]benzoic acid
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tert-butyl N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamate;tert-butyl N-[3-hydroxy-3-(3-methylphenyl)propyl]carbamate;tert-butyl N-[3-(3-hydroxyphenyl)-3-oxopropyl]carbamate;tert-butyl N-[3-(3-methylphenyl)-3-oxopropyl]carbamate
CID 159118729
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate (CID 174622949) is tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)c1cccc(OC(N)=O)c1.
What is the InChIKey of tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate?
The InChIKey is PYMMOLOKMIGPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-8-7-12(18)10-5-4-6-11(9-10)21-13(16)19/h4-6,9H,7-8H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate has a molecular weight of 308.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-carbamoyloxyphenyl)-3-oxopropyl]carbamate is sourced from PubChem (CID 174622949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).