(E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide

C14H20N2O3 — CID 171059096

IUPAC(E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide
SMILESCC[N+]([O-])(/C=C/COC(=O)Nc1ccccc1)CC
InChIInChI=1S/C14H20N2O3/c1-3-16(18,4-2)11-8-12-19-14(17)15-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3,(H,15,17)/b11-8+
InChIKeyKTLYMQODIXFJQR-DHZHZOJOSA-N
MW264.32 g/mol
LogP3.10
Rot. Bonds6

About (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide

(E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide (PubChem CID 171059096) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide
PubChem CID171059096
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide
SMILESCC[N+]([O-])(/C=C/COC(=O)Nc1ccccc1)CC
InChIInChI=1S/C14H20N2O3/c1-3-16(18,4-2)11-8-12-19-14(17)15-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3,(H,15,17)/b11-8+
InChIKeyKTLYMQODIXFJQR-DHZHZOJOSA-N
XLogP3.10
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-methylbut-2-enyl N-phenylcarbamate
CID 824835
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
CID 154538662
2-ethoxyethyl N-phenylcarbamate
CID 4101389
dodecyl N-phenylcarbamate
CID 521818
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
3-methylbutyl N-phenylcarbamate
CID 69480810
ethyl 3-anilino-3-oxopropanoate
CID 3016808
2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate
CID 23414889
ethyl N-(2-anilinophenyl)carbamate
CID 12930175

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide?
The IUPAC name of (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide (CID 171059096) is (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide.
What is the SMILES notation for (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide?
The canonical SMILES for (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide is CC[N+]([O-])(/C=C/COC(=O)Nc1ccccc1)CC.
What is the InChIKey of (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide?
The InChIKey is KTLYMQODIXFJQR-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(18,4-2)11-8-12-19-14(17)15-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3,(H,15,17)/b11-8+.
What are the key properties of (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide?
(E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide has a molecular weight of 264.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(phenylcarbamoyloxy)prop-1-en-1-amine oxide is sourced from PubChem (CID 171059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).