[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate

C19H34N2O4 — CID 13436546

IUPAC[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O/C=C/C=C/COC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H34N2O4/c1-14(2)20(15(3)4)18(22)24-12-10-9-11-13-25-19(23)21(16(5)6)17(7)8/h9-12,14-17H,13H2,1-8H3/b11-9+,12-10+
InChIKeyMSEAWTPTUSHXDD-WGDLNXRISA-N
MW354.49 g/mol
LogP4.57
Rot. Bonds8

About [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate

[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate (PubChem CID 13436546) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
PubChem CID13436546
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O/C=C/C=C/COC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H34N2O4/c1-14(2)20(15(3)4)18(22)24-12-10-9-11-13-25-19(23)21(16(5)6)17(7)8/h9-12,14-17H,13H2,1-8H3/b11-9+,12-10+
InChIKeyMSEAWTPTUSHXDD-WGDLNXRISA-N
XLogP4.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 10888910
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(diethylazanide);titanium(4+)
CID 12768305
[(2Z,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
CID 13436547
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(dimethylazanide);titanium(4+)
CID 135046778
[(3Z)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727158
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
[(Z)-4-(diethylcarbamoyloxy)but-2-enyl] N,N-diethylcarbamate
CID 21729913
N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 89496788
N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 89496799
N-ethyl-N-propan-2-ylpropan-2-amine;N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 160171773
4-(diethylcarbamoyloxy)but-2-enyl N,N-diethylcarbamate
CID 351693

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate (CID 13436546) is [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O/C=C/C=C/COC(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is MSEAWTPTUSHXDD-WGDLNXRISA-N. The full InChI is InChI=1S/C19H34N2O4/c1-14(2)20(15(3)4)18(22)24-12-10-9-11-13-25-19(23)21(16(5)6)17(7)8/h9-12,14-17H,13H2,1-8H3/b11-9+,12-10+.
What are the key properties of [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate?
[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 354.49 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 13436546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).