N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C18H21N3O3 — CID 3679950

IUPACN-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)C=C(NNC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(2)11-15(14-7-4-3-5-8-14)20-21-17(22)12-19-18(23)16-9-6-10-24-16/h3-11,13,20H,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyYBFBKUSEWSVEGE-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.33
Rot. Bonds7

About N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 3679950) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID3679950
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)C=C(NNC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(2)11-15(14-7-4-3-5-8-14)20-21-17(22)12-19-18(23)16-9-6-10-24-16/h3-11,13,20H,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyYBFBKUSEWSVEGE-UHFFFAOYSA-N
XLogP2.33
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7977704
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7979811
N-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9478105
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 4846196
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[2-(2,2-dibenzylhydrazinyl)-2-oxoethyl]furan-2-carboxamide
CID 9293667
N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18159228
N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
ethyl (2R)-2-benzyl-3-[[2-(furan-2-carbonylamino)acetyl]amino]propanoate
CID 52513406

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 3679950) is N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is CC(C)C=C(NNC(=O)CNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is YBFBKUSEWSVEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(2)11-15(14-7-4-3-5-8-14)20-21-17(22)12-19-18(23)16-9-6-10-24-16/h3-11,13,20H,12H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3679950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).