3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide

C21H18N2O4 — CID 2922117

IUPAC3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC(=Cc1ccco1)C(=O)NCc1ccco1
InChIInChI=1S/C21H18N2O4/c24-20(11-10-16-6-2-1-3-7-16)23-19(14-17-8-4-12-26-17)21(25)22-15-18-9-5-13-27-18/h1-14H,15H2,(H,22,25)(H,23,24)
InChIKeyJZRVJCDHTYTSHG-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.36
Rot. Bonds7

About 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide

3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide (PubChem CID 2922117) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
PubChem CID2922117
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)NC(=Cc1ccco1)C(=O)NCc1ccco1
InChIInChI=1S/C21H18N2O4/c24-20(11-10-16-6-2-1-3-7-16)23-19(14-17-8-4-12-26-17)21(25)22-15-18-9-5-13-27-18/h1-14H,15H2,(H,22,25)(H,23,24)
InChIKeyJZRVJCDHTYTSHG-UHFFFAOYSA-N
XLogP3.36
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 2293574
(Z)-3-(furan-2-yl)-N-(3-hydroxypropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 7480372
6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate
CID 7493238
N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2270670
N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2921436
furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate
CID 45069052
N-[3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 1100468
N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide
CID 2929014
(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide
CID 110298754
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
N-[(E)-1-[4-(dimethylamino)phenyl]-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 1097351
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide (CID 2922117) is 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide is O=C(C=Cc1ccccc1)NC(=Cc1ccco1)C(=O)NCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
The InChIKey is JZRVJCDHTYTSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20(11-10-16-6-2-1-3-7-16)23-19(14-17-8-4-12-26-17)21(25)22-15-18-9-5-13-27-18/h1-14H,15H2,(H,22,25)(H,23,24).
What are the key properties of 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide?
3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide has a molecular weight of 362.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide is sourced from PubChem (CID 2922117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).