2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone

C24H37N3O — CID 143616965

IUPAC2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone
SMILESC=C/C=C(\C=C/C)CNC(=C)CN(CC(=O)N1CCCC1)C(/C=C\C)=C/CC
InChIInChI=1S/C24H37N3O/c1-6-12-22(13-7-2)18-25-21(5)19-27(23(14-8-3)15-9-4)20-24(28)26-16-10-11-17-26/h6-8,12-15,25H,1,5,9-11,16-20H2,2-4H3/b13-7-,14-8-,22-12+,23-15+
InChIKeySENIXHJDDWRUHI-YNBHKCJRSA-N
MW383.58 g/mol
LogP4.57
Rot. Bonds12

About 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone

2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 143616965) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID143616965
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone
SMILESC=C/C=C(\C=C/C)CNC(=C)CN(CC(=O)N1CCCC1)C(/C=C\C)=C/CC
InChIInChI=1S/C24H37N3O/c1-6-12-22(13-7-2)18-25-21(5)19-27(23(14-8-3)15-9-4)20-24(28)26-16-10-11-17-26/h6-8,12-15,25H,1,5,9-11,16-20H2,2-4H3/b13-7-,14-8-,22-12+,23-15+
InChIKeySENIXHJDDWRUHI-YNBHKCJRSA-N
XLogP4.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

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N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-2-carboxamide
CID 19041085
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-pyrrolidin-1-ylacetamide
CID 67561835
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide
CID 67562653
2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
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CID 67562659
3-ethyl-6-methyl-5-[2-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone (CID 143616965) is 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone is C=C/C=C(\C=C/C)CNC(=C)CN(CC(=O)N1CCCC1)C(/C=C\C)=C/CC.
What is the InChIKey of 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is SENIXHJDDWRUHI-YNBHKCJRSA-N. The full InChI is InChI=1S/C24H37N3O/c1-6-12-22(13-7-2)18-25-21(5)19-27(23(14-8-3)15-9-4)20-24(28)26-16-10-11-17-26/h6-8,12-15,25H,1,5,9-11,16-20H2,2-4H3/b13-7-,14-8-,22-12+,23-15+.
What are the key properties of 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 383.58 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z,4E)-hepta-2,4-dien-4-yl]-[2-[[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]prop-2-enyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 143616965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).