propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate

C20H36N2O4 — CID 90880553

IUPACpropan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESC=CC(CC)CCC=CC(CC)N(NC(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C20H36N2O4/c1-8-17(9-2)13-11-12-14-18(10-3)22(20(24)26-16(6)7)21-19(23)25-15(4)5/h8,12,14-18H,1,9-11,13H2,2-7H3,(H,21,23)
InChIKeyAAPCDQKUZMGCMG-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.21
Rot. Bonds10

About propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate

propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate (PubChem CID 90880553) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
PubChem CID90880553
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Namepropan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESC=CC(CC)CCC=CC(CC)N(NC(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C20H36N2O4/c1-8-17(9-2)13-11-12-14-18(10-3)22(20(24)26-16(6)7)21-19(23)25-15(4)5/h8,12,14-18H,1,9-11,13H2,2-7H3,(H,21,23)
InChIKeyAAPCDQKUZMGCMG-UHFFFAOYSA-N
XLogP5.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate with MolForge

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Related Compounds

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CID 102043449
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CID 101242272
propan-2-yl N-methyl-N-prop-2-enylcarbamate
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carbonic acid;2-ethylbut-3-en-1-ol
CID 159522260
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
dimethyl 2-[(E)-hept-3-en-2-yl]propanedioate
CID 134981164
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
methyl (2E)-4-ethylhepta-2,6-dienoate
CID 12681348
3-ethylhept-1-ene
CID 12923943
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
5-ethylhepta-2,6-dienoic acid
CID 91381848

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The IUPAC name of propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate (CID 90880553) is propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate.
What is the SMILES notation for propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The canonical SMILES for propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate is C=CC(CC)CCC=CC(CC)N(NC(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The InChIKey is AAPCDQKUZMGCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-8-17(9-2)13-11-12-14-18(10-3)22(20(24)26-16(6)7)21-19(23)25-15(4)5/h8,12,14-18H,1,9-11,13H2,2-7H3,(H,21,23).
What are the key properties of propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate has a molecular weight of 368.52 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(8R)-8-ethyldeca-4,9-dien-3-yl]-N-(propan-2-yloxycarbonylamino)carbamate is sourced from PubChem (CID 90880553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).