5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide

C17H21NO3 — CID 123527909

IUPAC5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
SMILESCCCN(CC)C(=O)C=CC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H21NO3/c1-3-11-18(4-2)17(19)8-6-5-7-14-9-10-15-16(12-14)21-13-20-15/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyDDBOJLPOXHBCQG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.24
Rot. Bonds6

About 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide

5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide (PubChem CID 123527909) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
PubChem CID123527909
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
SMILESCCCN(CC)C(=O)C=CC=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H21NO3/c1-3-11-18(4-2)17(19)8-6-5-7-14-9-10-15-16(12-14)21-13-20-15/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyDDBOJLPOXHBCQG-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide
CID 90335471
5-(1,3-benzodioxol-5-yl)-N,N-diethylpenta-2,4-dienamide
CID 3054389
(2E)-5-(1,3-benzodioxol-5-yl)-N,N-bis(2-chloroethyl)penta-2,4-dienamide
CID 88784314
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-butyl-N-methylpenta-2,4-dienamide
CID 53302838
5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
CID 3065846
methyl 2-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl-ethylamino]acetate
CID 76899054
5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl chloride
CID 71404419
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)hepta-2,4,6-trienoic acid
CID 13001439
3-(1,3-benzodioxol-5-yl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688493
(2E)-5-(1,3-benzodioxol-5-yl)-N,N-dicyclohexylpenta-2,4-dienamide
CID 88780505
4-(1,3-benzodioxol-5-ylmethylidene)-N,N-diethylhex-2-enamide
CID 73153067
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 67516457

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide (CID 123527909) is 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide is CCCN(CC)C(=O)C=CC=Cc1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide?
The InChIKey is DDBOJLPOXHBCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-11-18(4-2)17(19)8-6-5-7-14-9-10-15-16(12-14)21-13-20-15/h5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide?
5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide has a molecular weight of 287.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-ethyl-N-propylpenta-2,4-dienamide is sourced from PubChem (CID 123527909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).