N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C14H15N3O5 — CID 43047860

IUPACN-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1occc1C(=O)NNC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C14H15N3O5/c1-9-10(5-7-21-9)13(19)16-15-12(18)8-17(2)14(20)11-4-3-6-22-11/h3-7H,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySPMLWJZTUQZUBI-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.71
Rot. Bonds4

About N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 43047860) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID43047860
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC NameN-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCc1occc1C(=O)NNC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C14H15N3O5/c1-9-10(5-7-21-9)13(19)16-15-12(18)8-17(2)14(20)11-4-3-6-22-11/h3-7H,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySPMLWJZTUQZUBI-UHFFFAOYSA-N
XLogP0.71
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
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2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
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CID 26897595
N-methyl-N-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]furan-2-carboxamide
CID 35743644
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93041382
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
N-methyl-N-[2-oxo-2-[[(E)-pent-3-enyl]amino]ethyl]furan-2-carboxamide
CID 113236489
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43062380

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 43047860) is N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is Cc1occc1C(=O)NNC(=O)CN(C)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is SPMLWJZTUQZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-9-10(5-7-21-9)13(19)16-15-12(18)8-17(2)14(20)11-4-3-6-22-11/h3-7H,8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 43047860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).