methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate

C17H19NO3 — CID 141403344

IUPACmethyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate
SMILESCOC(=O)C(=Cc1ccco1)CCN(C)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-18(15-7-4-3-5-8-15)11-10-14(17(19)20-2)13-16-9-6-12-21-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyIEIOJIAVNPBPLB-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.36
Rot. Bonds6

About methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate

methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate (PubChem CID 141403344) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate.

Molecular Properties

Compound Namemethyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate
PubChem CID141403344
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate
SMILESCOC(=O)C(=Cc1ccco1)CCN(C)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-18(15-7-4-3-5-8-15)11-10-14(17(19)20-2)13-16-9-6-12-21-16/h3-9,12-13H,10-11H2,1-2H3
InChIKeyIEIOJIAVNPBPLB-UHFFFAOYSA-N
XLogP3.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(N-methylanilino)ethyl]hex-2-enoate
CID 141403341
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
methyl (E)-3-(furan-2-yl)-2-nitroprop-2-enoate
CID 10512117
ethyl (2Z)-4-formyloxy-2-(furan-2-ylmethylidene)butanoate
CID 87438897
methyl (2E,4E)-2-acetyl-5-(furan-2-yl)-4-methylpenta-2,4-dienoate
CID 5363486
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
methyl (E)-3-(furan-2-yl)-2-[[(4-methylphenyl)sulfonyl-prop-2-ynylamino]methyl]prop-2-enoate
CID 164667766
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
2-(furan-2-yl)-4-(N-methylanilino)-2-phenylbutanoic acid
CID 162418980
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate?
The IUPAC name of methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate (CID 141403344) is methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate.
What is the SMILES notation for methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate?
The canonical SMILES for methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate is COC(=O)C(=Cc1ccco1)CCN(C)c1ccccc1.
What is the InChIKey of methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate?
The InChIKey is IEIOJIAVNPBPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(15-7-4-3-5-8-15)11-10-14(17(19)20-2)13-16-9-6-12-21-16/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate?
methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate has a molecular weight of 285.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-ylmethylidene)-4-(N-methylanilino)butanoate is sourced from PubChem (CID 141403344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).