N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

C26H26N4O3 — CID 6820740

IUPACN-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(C=CC=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1
InChIInChI=1S/C26H26N4O3/c1-19-11-16-23(33-19)10-7-17-27-29-26(32)24(28-25(31)21-8-5-4-6-9-21)18-20-12-14-22(15-13-20)30(2)3/h4-18H,1-3H3,(H,28,31)(H,29,32)
InChIKeyCHJNHBLRALBLOP-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.24
Rot. Bonds8

About N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide

N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 6820740) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID6820740
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccc(C=CC=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1
InChIInChI=1S/C26H26N4O3/c1-19-11-16-23(33-19)10-7-17-27-29-26(32)24(28-25(31)21-8-5-4-6-9-21)18-20-12-14-22(15-13-20)30(2)3/h4-18H,1-3H3,(H,28,31)(H,29,32)
InChIKeyCHJNHBLRALBLOP-UHFFFAOYSA-N
XLogP4.24
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 43907074
N-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 46496700
N-[1-[4-(dimethylamino)phenyl]-3-[2-[(2-methylphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 5099487
N-[(E)-3-[2-[(4-bromophenyl)methylidene]hydrazinyl]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 129439649
N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 30491254
N-[1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 135684223
N-[3-[2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3249604
N-[(E)-1-[4-(dimethylamino)phenyl]-3-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 129441365
N-[1-[4-(dimethylamino)phenyl]-3-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3892833
N-[3-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3099702
N-[1-[4-(dimethylamino)phenyl]-3-[2-[(2-hydroxy-4-methylphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 2882258
[4-[(E)-[[(Z)-2-benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 43907125

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 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) is N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is Cc1ccc(C=CC=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is CHJNHBLRALBLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-19-11-16-23(33-19)10-7-17-27-29-26(32)24(28-25(31)21-8-5-4-6-9-21)18-20-12-14-22(15-13-20)30(2)3/h4-18H,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide?
N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]-3-[2-[3-(5-methylfuran-2-yl)prop-2-enylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6820740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).