prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate

C18H17NO4 — CID 2939714

IUPACprop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESC=CCOC(=O)C(=Cc1ccco1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4/c1-3-10-23-18(21)16(12-15-5-4-11-22-15)19-17(20)14-8-6-13(2)7-9-14/h3-9,11-12H,1,10H2,2H3,(H,19,20)
InChIKeyPEEJARFHMGBUSL-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.09
Rot. Bonds6

About prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate

prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate (PubChem CID 2939714) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
PubChem CID2939714
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameprop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESC=CCOC(=O)C(=Cc1ccco1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4/c1-3-10-23-18(21)16(12-15-5-4-11-22-15)19-17(20)14-8-6-13(2)7-9-14/h3-9,11-12H,1,10H2,2H3,(H,19,20)
InChIKeyPEEJARFHMGBUSL-UHFFFAOYSA-N
XLogP3.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490
propyl 2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoate
CID 3812592
N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133210525
(1,3-dioxoisoindol-2-yl)methyl (Z)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoate
CID 25422301
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100587585
N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 2252967
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 99868613
N-[3-(3,4-dimethylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2836098
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 133218765

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The IUPAC name of prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate (CID 2939714) is prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate.
What is the SMILES notation for prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The canonical SMILES for prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate is C=CCOC(=O)C(=Cc1ccco1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The InChIKey is PEEJARFHMGBUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-3-10-23-18(21)16(12-15-5-4-11-22-15)19-17(20)14-8-6-13(2)7-9-14/h3-9,11-12H,1,10H2,2H3,(H,19,20).
What are the key properties of prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate has a molecular weight of 311.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 2939714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).