ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate

C22H37NO2 — CID 10736448

IUPACethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCC
InChIInChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(24)25-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
InChIKeyMFNPOXBAFADXSN-GKFVBPDJSA-N
MW347.54 g/mol
LogP6.49
Rot. Bonds15

About ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate

ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate (PubChem CID 10736448) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
PubChem CID10736448
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Nameethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCC
InChIInChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(24)25-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
InChIKeyMFNPOXBAFADXSN-GKFVBPDJSA-N
XLogP6.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The IUPAC name of ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate (CID 10736448) is ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate.
What is the SMILES notation for ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The canonical SMILES for ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCC.
What is the InChIKey of ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The InChIKey is MFNPOXBAFADXSN-GKFVBPDJSA-N. The full InChI is InChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(24)25-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate has a molecular weight of 347.54 g/mol, XLogP of 6.49, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate is sourced from PubChem (CID 10736448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).