propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate

C14H26N2O3 — CID 144555088

IUPACpropane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate
SMILESC/C=C\C(=C/CC)COC(=O)NCC(N)=O.CCC
InChIInChI=1S/C11H18N2O3.C3H8/c1-3-5-9(6-4-2)8-16-11(15)13-7-10(12)14;1-3-2/h3,5-6H,4,7-8H2,1-2H3,(H2,12,14)(H,13,15);3H2,1-2H3/b5-3-,9-6+;
InChIKeyNYZZBUBILSSURV-XRVNEYCPSA-N
MW270.37 g/mol
LogP2.53
Rot. Bonds6

About propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate

propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate (PubChem CID 144555088) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate.

Molecular Properties

Compound Namepropane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate
PubChem CID144555088
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namepropane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate
SMILESC/C=C\C(=C/CC)COC(=O)NCC(N)=O.CCC
InChIInChI=1S/C11H18N2O3.C3H8/c1-3-5-9(6-4-2)8-16-11(15)13-7-10(12)14;1-3-2/h3,5-6H,4,7-8H2,1-2H3,(H2,12,14)(H,13,15);3H2,1-2H3/b5-3-,9-6+;
InChIKeyNYZZBUBILSSURV-XRVNEYCPSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate?
The IUPAC name of propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate (CID 144555088) is propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate.
What is the SMILES notation for propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate?
The canonical SMILES for propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate is C/C=C\C(=C/CC)COC(=O)NCC(N)=O.CCC.
What is the InChIKey of propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate?
The InChIKey is NYZZBUBILSSURV-XRVNEYCPSA-N. The full InChI is InChI=1S/C11H18N2O3.C3H8/c1-3-5-9(6-4-2)8-16-11(15)13-7-10(12)14;1-3-2/h3,5-6H,4,7-8H2,1-2H3,(H2,12,14)(H,13,15);3H2,1-2H3/b5-3-,9-6+;.
What are the key properties of propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate?
propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-(2-amino-2-oxoethyl)carbamate is sourced from PubChem (CID 144555088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).