(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate

C17H32N2O3 — CID 11960566

IUPAC(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate
SMILESCC/C=C\CCCCCCCCCCNC(=O)OCC(N)=O
InChIInChI=1S/C17H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(21)22-15-16(18)20/h3-4H,2,5-15H2,1H3,(H2,18,20)(H,19,21)/b4-3-
InChIKeyOZBSZHKKDRRFQO-ARJAWSKDSA-N
MW312.45 g/mol
LogP3.67
Rot. Bonds14

About (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate

(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate (PubChem CID 11960566) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate
PubChem CID11960566
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate
SMILESCC/C=C\CCCCCCCCCCNC(=O)OCC(N)=O
InChIInChI=1S/C17H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(21)22-15-16(18)20/h3-4H,2,5-15H2,1H3,(H2,18,20)(H,19,21)/b4-3-
InChIKeyOZBSZHKKDRRFQO-ARJAWSKDSA-N
XLogP3.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.67
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
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-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-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]carbamoyloxy]ethyl-trimethylazanium
CID 53244552
[2-(Icosa-5,8,11,14-tetraenylamino)-2-oxoethyl] acetate
CID 53783512
N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
CID 54380110
2-(dimethylamino)ethyl N-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]carbamate
CID 58069503
(2-amino-2-oxoethyl) N-hex-2-enylcarbamate
CID 73154018

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate (CID 11960566) is (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate is CC/C=C\CCCCCCCCCCNC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate?
The InChIKey is OZBSZHKKDRRFQO-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-17(21)22-15-16(18)20/h3-4H,2,5-15H2,1H3,(H2,18,20)(H,19,21)/b4-3-.
What are the key properties of (2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate?
(2-amino-2-oxoethyl) N-[(Z)-tetradec-11-enyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 3.67, 14 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-[(Z)-tetradec-11-enyl]carbamate is sourced from PubChem (CID 11960566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).