2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate

C14H19NO4 — CID 67590944

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
SMILESCC(C)(C)OC(=O)NCCOC(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-10-18-12(16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyYAPNGAGYHHUKAR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.37
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate

2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate (PubChem CID 67590944) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
PubChem CID67590944
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate
SMILESCC(C)(C)OC(=O)NCCOC(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-10-18-12(16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyYAPNGAGYHHUKAR-UHFFFAOYSA-N
XLogP2.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)ethyl benzoate
CID 158644589
2-(butoxycarbonylamino)ethyl benzoate
CID 570837
[(E)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enyl] benzoate
CID 135032657
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960
(2S)-2-(benzoyloxyamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 147395256
[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] benzoate
CID 139815130
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
[2-benzoyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 3,4,5-trihydroxybenzoate
CID 59350295
[1-benzoyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] 3,4,5-trihydroxybenzoate
CID 118343579

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate (CID 67590944) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate is CC(C)(C)OC(=O)NCCOC(=O)c1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate?
The InChIKey is YAPNGAGYHHUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15-9-10-18-12(16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate?
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate has a molecular weight of 265.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl benzoate is sourced from PubChem (CID 67590944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).