(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate

C19H36N2O3 — CID 140526271

IUPAC(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate
SMILESCCCCCC/C=C\CCCCCCCCNC(=O)OCC(N)=O
InChIInChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(23)24-17-18(20)22/h7-8H,2-6,9-17H2,1H3,(H2,20,22)(H,21,23)/b8-7-
InChIKeyFFEVYQOWLDWRSD-FPLPWBNLSA-N
MW340.51 g/mol
LogP4.46
Rot. Bonds16

About (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate

(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate (PubChem CID 140526271) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate
PubChem CID140526271
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate
SMILESCCCCCC/C=C\CCCCCCCCNC(=O)OCC(N)=O
InChIInChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(23)24-17-18(20)22/h7-8H,2-6,9-17H2,1H3,(H2,20,22)(H,21,23)/b8-7-
InChIKeyFFEVYQOWLDWRSD-FPLPWBNLSA-N
XLogP4.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.46
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

octadec-9-enyl N-butylcarbamate
CID 91581457
N-hexylhexadecanamide;(Z)-tetradec-9-enamide
CID 156747366
(Z)-N-hexyltetradec-9-enamide;tetradecanamide
CID 156747401
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
2-bromo-N-[(E)-octadec-9-enyl]acetamide
CID 25125277
N-tetradecyloctadec-9-enamide
CID 90860718
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
N-hexyloctadec-9-enamide
CID 57210632
1-octadec-9-enyl-3-propylurea
CID 85374995
(E)-N-pentadecyloctadec-9-enamide
CID 166963229

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate (CID 140526271) is (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate is CCCCCC/C=C\CCCCCCCCNC(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate?
The InChIKey is FFEVYQOWLDWRSD-FPLPWBNLSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(23)24-17-18(20)22/h7-8H,2-6,9-17H2,1H3,(H2,20,22)(H,21,23)/b8-7-.
What are the key properties of (2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate?
(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate has a molecular weight of 340.51 g/mol, XLogP of 4.46, 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-[(Z)-hexadec-9-enyl]carbamate is sourced from PubChem (CID 140526271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).