tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate

C17H25NO4 — CID 169468047

IUPACtert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
SMILESCOCCOc1ccc(C=CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(19)18-11-5-6-14-7-9-15(10-8-14)21-13-12-20-4/h5-10H,11-13H2,1-4H3,(H,18,19)
InChIKeyURXMGJHOJVKFKB-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.25
Rot. Bonds7

About tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate

tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate (PubChem CID 169468047) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
PubChem CID169468047
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
SMILESCOCCOc1ccc(C=CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(19)18-11-5-6-14-7-9-15(10-8-14)21-13-12-20-4/h5-10H,11-13H2,1-4H3,(H,18,19)
InChIKeyURXMGJHOJVKFKB-UHFFFAOYSA-N
XLogP3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.25
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

tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
2-methyl-2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]propanoic acid
CID 169468334
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
tert-butyl N-[3-[4-(2-methoxyethoxy)anilino]propyl]carbamate
CID 103821818
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
tert-butyl N-[3-(4-methoxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169467402
N-[3-[4-(2-hydroxyethoxy)phenyl]prop-2-enyl]acetamide
CID 169465739

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate (CID 169468047) is tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate is COCCOc1ccc(C=CCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate?
The InChIKey is URXMGJHOJVKFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(2,3)22-16(19)18-11-5-6-14-7-9-15(10-8-14)21-13-12-20-4/h5-10H,11-13H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate?
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169468047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).