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

C15H20N2O3 — CID 169467603

IUPACtert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-10-4-5-11-6-8-12(9-7-11)13(16)18/h4-9H,10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyDACHRTDJYVTJTC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.32
Rot. Bonds4

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

tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate (PubChem CID 169467603) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
PubChem CID169467603
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-10-4-5-11-6-8-12(9-7-11)13(16)18/h4-9H,10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyDACHRTDJYVTJTC-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
2-methyl-2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]propanoic acid
CID 169468334
tert-butyl N-[3-[4-(2-methoxyethoxy)phenyl]prop-2-enyl]carbamate
CID 169468047
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
1-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]cyclopropane-1-carboxylic acid
CID 169468275
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
tert-butyl N-[3-(3-bromo-4-chlorophenyl)prop-2-enyl]carbamate
CID 169468558
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate (CID 169467603) is tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1ccc(C(N)=O)cc1.
What is the InChIKey of tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate?
The InChIKey is DACHRTDJYVTJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-10-4-5-11-6-8-12(9-7-11)13(16)18/h4-9H,10H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).