tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate

C16H22N2O3 — CID 169466624

IUPACtert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
SMILESCC(=O)NCC=Cc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)17-10-6-8-13-7-5-9-14(11-13)18-15(20)21-16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKNVDJEBLJIPOEM-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate

tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate (PubChem CID 169466624) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
PubChem CID169466624
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
SMILESCC(=O)NCC=Cc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)17-10-6-8-13-7-5-9-14(11-13)18-15(20)21-16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyKNVDJEBLJIPOEM-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(3-chloroprop-1-enyl)phenyl]carbamate
CID 169478424
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid
CID 72524578
tert-butyl N-[4-(3-acetamidoprop-1-enyl)-2-fluorophenyl]carbamate
CID 169466457
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041
tert-butyl N-[3-[3-(methylaminomethyl)phenyl]prop-2-enyl]carbamate
CID 169467521
tert-butyl N-[4-(3-anilinophenyl)but-3-enyl]carbamate
CID 170491415
tert-butyl N-[3-(3-propanoylphenyl)prop-2-enyl]carbamate
CID 169467804
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27803985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate (CID 169466624) is tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate is CC(=O)NCC=Cc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate?
The InChIKey is KNVDJEBLJIPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)17-10-6-8-13-7-5-9-14(11-13)18-15(20)21-16(2,3)4/h5-9,11H,10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate?
tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 3.18, 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-(3-acetamidoprop-1-enyl)phenyl]carbamate is sourced from PubChem (CID 169466624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).