N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C18H18N2O3 — CID 2176470

IUPACN-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC2CC2)o1
InChIInChI=1S/C18H18N2O3/c1-12-7-10-15(23-12)11-16(18(22)19-14-8-9-14)20-17(21)13-5-3-2-4-6-13/h2-7,10-11,14H,8-9H2,1H3,(H,19,22)(H,20,21)/b16-11-
InChIKeyQTDMAOISXYJRQF-WJDWOHSUSA-N
MW310.35 g/mol
LogP2.64
Rot. Bonds5

About N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 2176470) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID2176470
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC2CC2)o1
InChIInChI=1S/C18H18N2O3/c1-12-7-10-15(23-12)11-16(18(22)19-14-8-9-14)20-17(21)13-5-3-2-4-6-13/h2-7,10-11,14H,8-9H2,1H3,(H,19,22)(H,20,21)/b16-11-
InChIKeyQTDMAOISXYJRQF-WJDWOHSUSA-N
XLogP2.64
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.64
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

N-[(Z)-3-(cyclopentylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 45035895
methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2874468
N-[3-(4-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5236171
N-[1-(5-methylfuran-2-yl)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-en-2-yl]benzamide
CID 2928877
[5-[(Z)-2-benzamido-3-(cyclooctylamino)-3-oxoprop-1-enyl]furan-2-yl] morpholine-4-carbodithioate
CID 19057157
3-methyl-N-[3-(3-methylanilino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1359320
N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599646
N-[(E)-3-(cyclohexylamino)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2327202
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]prop-1-en-2-yl]benzamide
CID 86942402
N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 6820740
N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 5292556
4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5437782

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 2176470) is N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC2CC2)o1.
What is the InChIKey of N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is QTDMAOISXYJRQF-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-10-15(23-12)11-16(18(22)19-14-8-9-14)20-17(21)13-5-3-2-4-6-13/h2-7,10-11,14H,8-9H2,1H3,(H,19,22)(H,20,21)/b16-11-.
What are the key properties of N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(cyclopropylamino)-1-(5-methylfuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2176470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).