N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide

C22H35N3O3 — CID 53235045

IUPACN'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C22H35N3O3/c1-2-17-23-21(27)22(28)24-18-13-11-9-7-5-3-4-6-8-10-12-14-20(26)25-19-15-16-19/h3,5-6,8-9,11,19H,2,4,7,10,12-18H2,1H3,(H,23,27)(H,24,28)(H,25,26)/b5-3-,8-6-,11-9-
InChIKeySUAYWSPLUPXSEX-LJFLDRDWSA-N
MW389.54 g/mol
LogP2.92
Rot. Bonds14

About N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide

N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide (PubChem CID 53235045) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide
PubChem CID53235045
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCC/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1
InChIInChI=1S/C22H35N3O3/c1-2-17-23-21(27)22(28)24-18-13-11-9-7-5-3-4-6-8-10-12-14-20(26)25-19-15-16-19/h3,5-6,8-9,11,19H,2,4,7,10,12-18H2,1H3,(H,23,27)(H,24,28)(H,25,26)/b5-3-,8-6-,11-9-
InChIKeySUAYWSPLUPXSEX-LJFLDRDWSA-N
XLogP2.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide?
The IUPAC name of N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide (CID 53235045) is N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide.
What is the SMILES notation for N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide?
The canonical SMILES for N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide is CCCNC(=O)C(=O)NCC/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1.
What is the InChIKey of N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide?
The InChIKey is SUAYWSPLUPXSEX-LJFLDRDWSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-2-17-23-21(27)22(28)24-18-13-11-9-7-5-3-4-6-8-10-12-14-20(26)25-19-15-16-19/h3,5-6,8-9,11,19H,2,4,7,10,12-18H2,1H3,(H,23,27)(H,24,28)(H,25,26)/b5-3-,8-6-,11-9-.
What are the key properties of N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide?
N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide has a molecular weight of 389.54 g/mol, XLogP of 2.92, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,6Z,9Z)-14-(cyclopropylamino)-14-oxotetradeca-3,6,9-trienyl]-N-propyloxamide is sourced from PubChem (CID 53235045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).