(Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate

C29H57NO5 — CID 162764488

IUPAC(Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate
SMILESCCCCCCC/C=C\CCCCCCCC(=O)NCC.COC(C)(C)COC(C)(C)COC=O
InChIInChI=1S/C19H37NO.C10H20O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-4-2;1-9(2,12-5)7-14-10(3,4)6-13-8-11/h10-11H,3-9,12-18H2,1-2H3,(H,20,21);8H,6-7H2,1-5H3/b11-10-;
InChIKeyXGXCAFMUXFGHMM-GMFCBQQYSA-N
MW499.78 g/mol
LogP7.15
Rot. Bonds22

About (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate

(Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate (PubChem CID 162764488) has the molecular formula C29H57NO5 and a molecular weight of 499.78 g/mol. Its IUPAC name is (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate.

Molecular Properties

Compound Name(Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate
PubChem CID162764488
Molecular FormulaC29H57NO5
Molecular Weight499.78 g/mol
Exact Mass499.42
IUPAC Name(Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate
SMILESCCCCCCC/C=C\CCCCCCCC(=O)NCC.COC(C)(C)COC(C)(C)COC=O
InChIInChI=1S/C19H37NO.C10H20O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-4-2;1-9(2,12-5)7-14-10(3,4)6-13-8-11/h10-11H,3-9,12-18H2,1-2H3,(H,20,21);8H,6-7H2,1-5H3/b11-10-;
InChIKeyXGXCAFMUXFGHMM-GMFCBQQYSA-N
XLogP7.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.78
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide
CID 175513367
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl] N-[2-[bis[2-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]ethyl]carbamate
CID 163236256
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-tetradecyloctadec-9-enamide
CID 90860718
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
N,N'-bis[(E)-non-2-enyl]hexanediamide
CID 101279958

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate?
The IUPAC name of (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate (CID 162764488) is (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate.
What is the SMILES notation for (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate?
The canonical SMILES for (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate is CCCCCCC/C=C\CCCCCCCC(=O)NCC.COC(C)(C)COC(C)(C)COC=O.
What is the InChIKey of (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate?
The InChIKey is XGXCAFMUXFGHMM-GMFCBQQYSA-N. The full InChI is InChI=1S/C19H37NO.C10H20O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-4-2;1-9(2,12-5)7-14-10(3,4)6-13-8-11/h10-11H,3-9,12-18H2,1-2H3,(H,20,21);8H,6-7H2,1-5H3/b11-10-;.
What are the key properties of (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate?
(Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate has a molecular weight of 499.78 g/mol, XLogP of 7.15, 22 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylheptadec-9-enamide;[2-(2-methoxy-2-methylpropoxy)-2-methylpropyl] formate is sourced from PubChem (CID 162764488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).