(4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide

C24H30N2O2 — CID 138502224

IUPAC(4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide
SMILESC=C/C=C(NC(=O)CC1=CCC2C=CC=CC2=C1)\C(=C/CC)CCC(=O)NC
InChIInChI=1S/C24H30N2O2/c1-4-8-20(14-15-23(27)25-3)22(9-5-2)26-24(28)17-18-12-13-19-10-6-7-11-21(19)16-18/h5-12,16,19H,2,4,13-15,17H2,1,3H3,(H,25,27)(H,26,28)/b20-8-,22-9+
InChIKeyQLUMPCDNVVKJHI-BTIAAVFOSA-N
MW378.52 g/mol
LogP4.42
Rot. Bonds9

About (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide

(4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide (PubChem CID 138502224) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide.

Molecular Properties

Compound Name(4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide
PubChem CID138502224
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide
SMILESC=C/C=C(NC(=O)CC1=CCC2C=CC=CC2=C1)\C(=C/CC)CCC(=O)NC
InChIInChI=1S/C24H30N2O2/c1-4-8-20(14-15-23(27)25-3)22(9-5-2)26-24(28)17-18-12-13-19-10-6-7-11-21(19)16-18/h5-12,16,19H,2,4,13-15,17H2,1,3H3,(H,25,27)(H,26,28)/b20-8-,22-9+
InChIKeyQLUMPCDNVVKJHI-BTIAAVFOSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide?
The IUPAC name of (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide (CID 138502224) is (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide.
What is the SMILES notation for (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide?
The canonical SMILES for (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide is C=C/C=C(NC(=O)CC1=CCC2C=CC=CC2=C1)\C(=C/CC)CCC(=O)NC.
What is the InChIKey of (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide?
The InChIKey is QLUMPCDNVVKJHI-BTIAAVFOSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-8-20(14-15-23(27)25-3)22(9-5-2)26-24(28)17-18-12-13-19-10-6-7-11-21(19)16-18/h5-12,16,19H,2,4,13-15,17H2,1,3H3,(H,25,27)(H,26,28)/b20-8-,22-9+.
What are the key properties of (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide?
(4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide has a molecular weight of 378.52 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-[[2-(4,4a-dihydronaphthalen-2-yl)acetyl]amino]-N-methyl-4-propylideneocta-5,7-dienamide is sourced from PubChem (CID 138502224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).