tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate

C14H20N2O4 — CID 2343760

IUPACtert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate
SMILESC=C(NNC(=O)OC(C)(C)C)c1ccc(OC)cc1O
InChIInChI=1S/C14H20N2O4/c1-9(15-16-13(18)20-14(2,3)4)11-7-6-10(19-5)8-12(11)17/h6-8,15,17H,1H2,2-5H3,(H,16,18)
InChIKeyKTHZSFZBZRCWKA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate

tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate (PubChem CID 2343760) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate
PubChem CID2343760
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate
SMILESC=C(NNC(=O)OC(C)(C)C)c1ccc(OC)cc1O
InChIInChI=1S/C14H20N2O4/c1-9(15-16-13(18)20-14(2,3)4)11-7-6-10(19-5)8-12(11)17/h6-8,15,17H,1H2,2-5H3,(H,16,18)
InChIKeyKTHZSFZBZRCWKA-UHFFFAOYSA-N
XLogP2.40
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754
tert-butyl N-(1-phenylethenylamino)carbamate
CID 2692506
tert-butyl N-[[2-methoxy-2-(4-methoxyphenyl)acetyl]amino]carbamate
CID 67067315
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729
tert-butyl N-[1-[(2-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740311
tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate
CID 71885448
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61120396
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 2-hydroxy-4-methoxybenzoate
CID 30031214
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate?
The IUPAC name of tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate (CID 2343760) is tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate is C=C(NNC(=O)OC(C)(C)C)c1ccc(OC)cc1O.
What is the InChIKey of tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate?
The InChIKey is KTHZSFZBZRCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(15-16-13(18)20-14(2,3)4)11-7-6-10(19-5)8-12(11)17/h6-8,15,17H,1H2,2-5H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate?
tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-hydroxy-4-methoxyphenyl)ethenylamino]carbamate is sourced from PubChem (CID 2343760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).