ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate

C14H25NO3 — CID 91420699

IUPACethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate
SMILESC=CC=C(CC)N(C(=O)OCC)C(CC)OCC
InChIInChI=1S/C14H25NO3/c1-6-11-12(7-2)15(14(16)18-10-5)13(8-3)17-9-4/h6,11,13H,1,7-10H2,2-5H3
InChIKeyZRPPSSHLJRFGQA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds8

About ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate

ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate (PubChem CID 91420699) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate.

Molecular Properties

Compound Nameethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate
PubChem CID91420699
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate
SMILESC=CC=C(CC)N(C(=O)OCC)C(CC)OCC
InChIInChI=1S/C14H25NO3/c1-6-11-12(7-2)15(14(16)18-10-5)13(8-3)17-9-4/h6,11,13H,1,7-10H2,2-5H3
InChIKeyZRPPSSHLJRFGQA-UHFFFAOYSA-N
XLogP3.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-methyl-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 11147842
ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
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ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate
CID 101149474
ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101149477
ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate
CID 135075389
Ethyl 2-propan-2-ylazepine-1-carboxylate
CID 21821812
ethyl 2-methyl-4H-pyridine-1-carboxylate
CID 13191056
butyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 68024234
tert-butyl N-(2-methylhexa-1,3-dien-3-yl)-N-prop-2-enylcarbamate
CID 123365143
tert-butyl N-ethenyl-N-[(3E)-hexa-3,5-dien-3-yl]carbamate
CID 164167215
tert-butyl N-[(3E)-hexa-3,5-dien-3-yl]-N-methylcarbamate
CID 166892719
tert-butyl N-ethyl-N-[(3E)-hexa-3,5-dien-3-yl]carbamate
CID 166892757

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate?
The IUPAC name of ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate (CID 91420699) is ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate.
What is the SMILES notation for ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate?
The canonical SMILES for ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate is C=CC=C(CC)N(C(=O)OCC)C(CC)OCC.
What is the InChIKey of ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate?
The InChIKey is ZRPPSSHLJRFGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-11-12(7-2)15(14(16)18-10-5)13(8-3)17-9-4/h6,11,13H,1,7-10H2,2-5H3.
What are the key properties of ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate?
ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate has a molecular weight of 255.36 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-ethoxypropyl)-N-hexa-3,5-dien-3-ylcarbamate is sourced from PubChem (CID 91420699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).