tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate

C15H24N2O4 — CID 107711346

IUPACtert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
SMILESCC(NCCNC(=O)OC(C)(C)C)c1c(O)cccc1O
InChIInChI=1S/C15H24N2O4/c1-10(13-11(18)6-5-7-12(13)19)16-8-9-17-14(20)21-15(2,3)4/h5-7,10,16,18-19H,8-9H2,1-4H3,(H,17,20)
InChIKeyVHAJRICWAPMBLX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate

tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate (PubChem CID 107711346) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
PubChem CID107711346
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
SMILESCC(NCCNC(=O)OC(C)(C)C)c1c(O)cccc1O
InChIInChI=1S/C15H24N2O4/c1-10(13-11(18)6-5-7-12(13)19)16-8-9-17-14(20)21-15(2,3)4/h5-7,10,16,18-19H,8-9H2,1-4H3,(H,17,20)
InChIKeyVHAJRICWAPMBLX-UHFFFAOYSA-N
XLogP2.27
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 107710460
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]ethyl]carbamate
CID 103917430
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CID 115606965
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tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
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tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
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tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
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tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate (CID 107711346) is tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate is CC(NCCNC(=O)OC(C)(C)C)c1c(O)cccc1O.
What is the InChIKey of tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate?
The InChIKey is VHAJRICWAPMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(13-11(18)6-5-7-12(13)19)16-8-9-17-14(20)21-15(2,3)4/h5-7,10,16,18-19H,8-9H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate?
tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 107711346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).