(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide

C16H19NO2 — CID 47143635

IUPAC(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H19NO2/c1-2-3-4-9-16(18)17-11-13-10-14-7-5-6-8-15(14)19-12-13/h2-9,13H,10-12H2,1H3,(H,17,18)/b3-2+,9-4+
InChIKeyTZIXNMYLVURYHC-DSXPNFDZSA-N
MW257.33 g/mol
LogP2.49
Rot. Bonds4

About (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide

(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide (PubChem CID 47143635) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
PubChem CID47143635
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C16H19NO2/c1-2-3-4-9-16(18)17-11-13-10-14-7-5-6-8-15(14)19-12-13/h2-9,13H,10-12H2,1H3,(H,17,18)/b3-2+,9-4+
InChIKeyTZIXNMYLVURYHC-DSXPNFDZSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
CID 102604020
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CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene
CID 146274063
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 94151870
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 51212154

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide (CID 47143635) is (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC1COc2ccccc2C1.
What is the InChIKey of (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide?
The InChIKey is TZIXNMYLVURYHC-DSXPNFDZSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-3-4-9-16(18)17-11-13-10-14-7-5-6-8-15(14)19-12-13/h2-9,13H,10-12H2,1H3,(H,17,18)/b3-2+,9-4+.
What are the key properties of (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide?
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide has a molecular weight of 257.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide is sourced from PubChem (CID 47143635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).