N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide

C17H17NO3 — CID 102604020

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1COc2ccccc2C1
InChIInChI=1S/C17H17NO3/c19-17(8-7-15-5-3-9-20-15)18-11-13-10-14-4-1-2-6-16(14)21-12-13/h1-9,13H,10-12H2,(H,18,19)
InChIKeyOCALININIDSXCG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.66
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 102604020) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID102604020
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1COc2ccccc2C1
InChIInChI=1S/C17H17NO3/c19-17(8-7-15-5-3-9-20-15)18-11-13-10-14-4-1-2-6-16(14)21-12-13/h1-9,13H,10-12H2,(H,18,19)
InChIKeyOCALININIDSXCG-UHFFFAOYSA-N
XLogP2.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
CID 3145411
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963667
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
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-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide
CID 72719259
3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71961619

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide (CID 102604020) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is OCALININIDSXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(8-7-15-5-3-9-20-15)18-11-13-10-14-4-1-2-6-16(14)21-12-13/h1-9,13H,10-12H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 102604020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).