(2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate

C22H36N2O3 — CID 90894811

IUPAC(2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate
SMILESCCCCCC=CCC=CCC=CCC=CCCCNC(=O)OCC(N)=O
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(26)27-20-21(23)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H2,23,25)(H,24,26)
InChIKeyRRKPDEHBRIZCIK-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.95
Rot. Bonds16

About (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate

(2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate (PubChem CID 90894811) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate
PubChem CID90894811
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name(2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate
SMILESCCCCCC=CCC=CCC=CCC=CCCCNC(=O)OCC(N)=O
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(26)27-20-21(23)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H2,23,25)(H,24,26)
InChIKeyRRKPDEHBRIZCIK-UHFFFAOYSA-N
XLogP4.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid ((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl)carbamoylmethyl ester
CID 10715387
((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-carbamic acid ethyl ester
CID 10736448
ethyl N-nonadeca-4,7,10,13-tetraenylcarbamate
CID 49823678
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]-2-methoxyacetamide
CID 9885294
ethyl N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]carbamate
CID 9906974
2-methoxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
CID 11539464
[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate
CID 11960458
(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate
CID 11960459
(2-amino-2-oxoethyl) N-[(Z)-hex-2-enyl]carbamate
CID 11960460
(2-amino-2-oxoethyl) N-oct-7-enylcarbamate
CID 11960464
[2-(methylamino)-2-oxoethyl] N-oct-7-enylcarbamate
CID 11960465
(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate
CID 11960566

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate (CID 90894811) is (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate is CCCCCC=CCC=CCC=CCC=CCCCNC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate?
The InChIKey is RRKPDEHBRIZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(26)27-20-21(23)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate?
(2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate has a molecular weight of 376.54 g/mol, XLogP of 4.95, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-nonadeca-4,7,10,13-tetraenylcarbamate is sourced from PubChem (CID 90894811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).