N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide

C29H42N2O4 — CID 58373468

IUPACN,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide
SMILESCCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2cc(C)cc(C)c2C(=O)O1
InChIInChI=1S/C29H42N2O4/c1-7-13-26-15-12-10-11-14-21(4)18-25(30-34-20-27(32)31(8-2)9-3)19-24-17-22(5)16-23(6)28(24)29(33)35-26/h10,12,16-18,26H,7-9,11,13-15,19-20H2,1-6H3/b12-10+,21-18+,30-25-
InChIKeyNMEKXKFKNBVEIU-UCTSDHDUSA-N
MW482.67 g/mol
LogP6.10
Rot. Bonds7

About N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide

N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide (PubChem CID 58373468) has the molecular formula C29H42N2O4 and a molecular weight of 482.67 g/mol. Its IUPAC name is N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide
PubChem CID58373468
Molecular FormulaC29H42N2O4
Molecular Weight482.67 g/mol
Exact Mass482.31
IUPAC NameN,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide
SMILESCCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2cc(C)cc(C)c2C(=O)O1
InChIInChI=1S/C29H42N2O4/c1-7-13-26-15-12-10-11-14-21(4)18-25(30-34-20-27(32)31(8-2)9-3)19-24-17-22(5)16-23(6)28(24)29(33)35-26/h10,12,16-18,26H,7-9,11,13-15,19-20H2,1-6H3/b12-10+,21-18+,30-25-
InChIKeyNMEKXKFKNBVEIU-UCTSDHDUSA-N
XLogP6.10
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide (CID 58373468) is N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide is CCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2cc(C)cc(C)c2C(=O)O1.
What is the InChIKey of N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide?
The InChIKey is NMEKXKFKNBVEIU-UCTSDHDUSA-N. The full InChI is InChI=1S/C29H42N2O4/c1-7-13-26-15-12-10-11-14-21(4)18-25(30-34-20-27(32)31(8-2)9-3)19-24-17-22(5)16-23(6)28(24)29(33)35-26/h10,12,16-18,26H,7-9,11,13-15,19-20H2,1-6H3/b12-10+,21-18+,30-25-.
What are the key properties of N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide?
N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide has a molecular weight of 482.67 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(E)-[(6E,10E)-10,16,18-trimethyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide is sourced from PubChem (CID 58373468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).