N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C16H18N4O3 — CID 5333609

IUPACN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N4O3/c1-20(2)13-7-5-12(6-8-13)10-18-19-15(21)11-17-16(22)14-4-3-9-23-14/h3-10H,11H2,1-2H3,(H,17,22)(H,19,21)/b18-10+
InChIKeyQCFVUGDGCMBHAM-VCHYOVAHSA-N
MW314.35 g/mol
LogP1.23
Rot. Bonds6

About N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 5333609) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID5333609
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N4O3/c1-20(2)13-7-5-12(6-8-13)10-18-19-15(21)11-17-16(22)14-4-3-9-23-14/h3-10H,11H2,1-2H3,(H,17,22)(H,19,21)/b18-10+
InChIKeyQCFVUGDGCMBHAM-VCHYOVAHSA-N
XLogP1.23
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)furan-2-carboxamide
CID 785196
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
Antiviral ST-161
CID 9702096
N-[4-[(E)-C-methyl-N-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 9702097
N-[4-[(E)-C-methyl-N-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 9702099
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
N-[4-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 977240
N-[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 1898490
[2-(4-Methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 2430426
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9621408
1-(2-furoyl)-N-(4-isopropylphenyl)-3-piperidinamine
CID 24817658
Oxamide, N-furfuryl-N'-(2,4-dimethylphenyl)-
CID 565940

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 5333609) is N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is QCFVUGDGCMBHAM-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-20(2)13-7-5-12(6-8-13)10-18-19-15(21)11-17-16(22)14-4-3-9-23-14/h3-10H,11H2,1-2H3,(H,17,22)(H,19,21)/b18-10+.
What are the key properties of N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 5333609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).