2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide

C22H20N2O3 — CID 42996288

IUPAC2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16(17-8-3-2-4-9-17)23-22(26)19-11-5-6-12-20(19)24-21(25)14-13-18-10-7-15-27-18/h2-16H,1H3,(H,23,26)(H,24,25)/b14-13+
InChIKeyFLRADDMWYRJDGI-BUHFOSPRSA-N
MW360.41 g/mol
LogP4.42
Rot. Bonds6

About 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 42996288) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID42996288
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16(17-8-3-2-4-9-17)23-22(26)19-11-5-6-12-20(19)24-21(25)14-13-18-10-7-15-27-18/h2-16H,1H3,(H,23,26)(H,24,25)/b14-13+
InChIKeyFLRADDMWYRJDGI-BUHFOSPRSA-N
XLogP4.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-(1-phenylethyl)benzamide
CID 4935071
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
N-[(Z)-furan-2-ylmethylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 126003105
4-fluoro-N-[4-[1-[3-(furan-2-yl)prop-2-enoylamino]ethyl]phenyl]benzamide
CID 76866558
4-fluoro-N-[4-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]phenyl]benzamide
CID 60537830
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide (CID 42996288) is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1)c1ccccc1.
What is the InChIKey of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is FLRADDMWYRJDGI-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(17-8-3-2-4-9-17)23-22(26)19-11-5-6-12-20(19)24-21(25)14-13-18-10-7-15-27-18/h2-16H,1H3,(H,23,26)(H,24,25)/b14-13+.
What are the key properties of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide?
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42996288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).