propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate

C15H15NO5 — CID 3812592

IUPACpropyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
SMILESCCCOC(=O)C(=Cc1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C15H15NO5/c1-2-7-21-15(18)12(10-11-5-3-8-19-11)16-14(17)13-6-4-9-20-13/h3-6,8-10H,2,7H2,1H3,(H,16,17)
InChIKeyDYDGKLXDUZVHEN-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.60
Rot. Bonds6

About propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate

propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate (PubChem CID 3812592) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Namepropyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
PubChem CID3812592
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namepropyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
SMILESCCCOC(=O)C(=Cc1ccco1)NC(=O)c1ccco1
InChIInChI=1S/C15H15NO5/c1-2-7-21-15(18)12(10-11-5-3-8-19-11)16-14(17)13-6-4-9-20-13/h3-6,8-10H,2,7H2,1H3,(H,16,17)
InChIKeyDYDGKLXDUZVHEN-UHFFFAOYSA-N
XLogP2.60
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2885104
prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2939714
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]furan-2-carboxamide
CID 892483
ethyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 6054731
N-[(E)-1-(furan-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 7349133
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490
methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 2180781
propyl 2-[(2R)-1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 40684007
N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5226486
N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2918548
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946

Frequently Asked Questions

What is the IUPAC name of propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate (CID 3812592) is propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate is CCCOC(=O)C(=Cc1ccco1)NC(=O)c1ccco1.
What is the InChIKey of propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is DYDGKLXDUZVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-2-7-21-15(18)12(10-11-5-3-8-19-11)16-14(17)13-6-4-9-20-13/h3-6,8-10H,2,7H2,1H3,(H,16,17).
What are the key properties of propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate?
propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 289.29 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 3812592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).