N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide

C17H19N3O2 — CID 3609219

IUPACN'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide
SMILESC=C(C=Cc1ccco1)NNC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C17H19N3O2/c1-13-5-8-15(9-6-13)18-12-17(21)20-19-14(2)7-10-16-4-3-11-22-16/h3-11,18-19H,2,12H2,1H3,(H,20,21)
InChIKeyNWNRZGQNUHMIOY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.85
Rot. Bonds7

About N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide

N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide (PubChem CID 3609219) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide.

Molecular Properties

Compound NameN'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide
PubChem CID3609219
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide
SMILESC=C(C=Cc1ccco1)NNC(=O)CNc1ccc(C)cc1
InChIInChI=1S/C17H19N3O2/c1-13-5-8-15(9-6-13)18-12-17(21)20-19-14(2)7-10-16-4-3-11-22-16/h3-11,18-19H,2,12H2,1H3,(H,20,21)
InChIKeyNWNRZGQNUHMIOY-UHFFFAOYSA-N
XLogP2.85
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(furan-2-yl)buta-1,3-dien-2-ylamino]urea
CID 5192993
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
CID 5254255
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4500595
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 71961453

Frequently Asked Questions

What is the IUPAC name of N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide?
The IUPAC name of N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide (CID 3609219) is N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide.
What is the SMILES notation for N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide?
The canonical SMILES for N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide is C=C(C=Cc1ccco1)NNC(=O)CNc1ccc(C)cc1.
What is the InChIKey of N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide?
The InChIKey is NWNRZGQNUHMIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-5-8-15(9-6-13)18-12-17(21)20-19-14(2)7-10-16-4-3-11-22-16/h3-11,18-19H,2,12H2,1H3,(H,20,21).
What are the key properties of N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide?
N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide has a molecular weight of 297.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide is sourced from PubChem (CID 3609219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).