(3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide

C12H17N3O4 — CID 6248555

IUPAC(3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
SMILESCOCC(=O)N/N=C(\C)CC(=O)NCc1ccco1
InChIInChI=1S/C12H17N3O4/c1-9(14-15-12(17)8-18-2)6-11(16)13-7-10-4-3-5-19-10/h3-5H,6-8H2,1-2H3,(H,13,16)(H,15,17)/b14-9+
InChIKeyCLNGHATXEDDRFZ-NTEUORMPSA-N
MW267.28 g/mol
LogP0.42
Rot. Bonds7

About (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide

(3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide (PubChem CID 6248555) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
PubChem CID6248555
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
SMILESCOCC(=O)N/N=C(\C)CC(=O)NCc1ccco1
InChIInChI=1S/C12H17N3O4/c1-9(14-15-12(17)8-18-2)6-11(16)13-7-10-4-3-5-19-10/h3-5H,6-8H2,1-2H3,(H,13,16)(H,15,17)/b14-9+
InChIKeyCLNGHATXEDDRFZ-NTEUORMPSA-N
XLogP0.42
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.42
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-(2-Furoyl)glycine methyl ester
CID 518748
2-cyano-N-((furan-2-yl)methyl)acetamide
CID 304848
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177
N-[2-(2-furoylamino)-1-methylethyl]-2-furamide
CID 2837020
(3E)-4-(aminocarbonylamino)-N-(2-furylmethyl)-3-methyl-4-azabut-3-enamide
CID 5853280
N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 9360813
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9621408
N'-(1-ethyl-4-piperidinylidene)-2-furohydrazide
CID 840590
N-(tert-butyl)-3-(2-furoylhydrazono)butanamide
CID 5822222
2-Furancarboxamide, N-tetrahydrofurfuryl-
CID 531892
N'-(1-methyl-4-piperidinylidene)-2-furohydrazide
CID 868151

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide (CID 6248555) is (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide is COCC(=O)N/N=C(\C)CC(=O)NCc1ccco1.
What is the InChIKey of (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
The InChIKey is CLNGHATXEDDRFZ-NTEUORMPSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9(14-15-12(17)8-18-2)6-11(16)13-7-10-4-3-5-19-10/h3-5H,6-8H2,1-2H3,(H,13,16)(H,15,17)/b14-9+.
What are the key properties of (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide?
(3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide has a molecular weight of 267.28 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(furan-2-ylmethyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 6248555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).