2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide

C18H18N2O3 — CID 18158409

IUPAC2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C18H18N2O3/c1-3-12-19-18(22)15-6-4-5-7-16(15)20-17(21)11-10-14-9-8-13(2)23-14/h3-11H,1,12H2,2H3,(H,19,22)(H,20,21)/b11-10+
InChIKeyYYJWCANNADTNNK-ZHACJKMWSA-N
MW310.35 g/mol
LogP3.16
Rot. Bonds6

About 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide

2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 18158409) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
PubChem CID18158409
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C18H18N2O3/c1-3-12-19-18(22)15-6-4-5-7-16(15)20-17(21)11-10-14-9-8-13(2)23-14/h3-11H,1,12H2,2H3,(H,19,22)(H,20,21)/b11-10+
InChIKeyYYJWCANNADTNNK-ZHACJKMWSA-N
XLogP3.16
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
2-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 34747616
ethyl (E)-4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]but-2-enoate
CID 6233858
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 909150
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71904712
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 34745108
2-(3-phenylprop-2-enoylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932681
3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158423
2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 932790
(E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78810129

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide (CID 18158409) is 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C)o1.
What is the InChIKey of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is YYJWCANNADTNNK-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-12-19-18(22)15-6-4-5-7-16(15)20-17(21)11-10-14-9-8-13(2)23-14/h3-11H,1,12H2,2H3,(H,19,22)(H,20,21)/b11-10+.
What are the key properties of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide?
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 310.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 18158409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).