N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C24H23N3O3 — CID 129360095

IUPACN-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCC(/C=C/c1ccco1)=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-18(14-15-21-13-8-16-30-21)26-27-22(28)17-25-24(29)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,23H,17H2,1H3,(H,25,29)(H,27,28)/b15-14+,26-18?
InChIKeyDDOTUJRTAFQVSY-OFSHSVEPSA-N
MW401.47 g/mol
LogP3.73
Rot. Bonds8

About N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 129360095) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID129360095
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCC(/C=C/c1ccco1)=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O3/c1-18(14-15-21-13-8-16-30-21)26-27-22(28)17-25-24(29)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,23H,17H2,1H3,(H,25,29)(H,27,28)/b15-14+,26-18?
InChIKeyDDOTUJRTAFQVSY-OFSHSVEPSA-N
XLogP3.73
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 3998227
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
(4E)-4-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 46496063
2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
CID 3566595
3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 3375697
2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
CID 129440525
(E)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 6134777
1-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-3-(2-methylpropyl)thiourea
CID 5385463
cis-(1R,2S)-N-[[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-2-phenylcyclopropane-1-carboxamide
CID 129440919
2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 6246040
N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2,2-diphenylacetamide
CID 4598701
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 129360095) is N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is CC(/C=C/c1ccco1)=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is DDOTUJRTAFQVSY-OFSHSVEPSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-18(14-15-21-13-8-16-30-21)26-27-22(28)17-25-24(29)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-16,23H,17H2,1H3,(H,25,29)(H,27,28)/b15-14+,26-18?.
What are the key properties of N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 401.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 129360095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).