5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide

C13H21N3O3 — CID 56807423

IUPAC5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
SMILESCCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1
InChIInChI=1S/C13H21N3O3/c1-4-12(17)14-15-13(18)11-8-7-10(19-11)9-16(5-2)6-3/h7-8H,4-6,9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyZHIMLLHKGZSWDK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.29
Rot. Bonds6

About 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide

5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide (PubChem CID 56807423) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
PubChem CID56807423
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
SMILESCCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1
InChIInChI=1S/C13H21N3O3/c1-4-12(17)14-15-13(18)11-8-7-10(19-11)9-16(5-2)6-3/h7-8H,4-6,9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyZHIMLLHKGZSWDK-UHFFFAOYSA-N
XLogP1.29
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide
CID 47837306
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 55523239
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 47798006
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
CID 106843281
N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
CID 112550624
5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide
CID 55529155
5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide
CID 47797811
5-(diethylaminomethyl)-N-[1-(hydroxymethyl)cyclopentyl]furan-2-carboxamide
CID 62517028
5-(diethylaminomethyl)-N-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 43430673
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide?
The IUPAC name of 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide (CID 56807423) is 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide.
What is the SMILES notation for 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide?
The canonical SMILES for 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide is CCC(=O)NNC(=O)c1ccc(CN(CC)CC)o1.
What is the InChIKey of 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide?
The InChIKey is ZHIMLLHKGZSWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-12(17)14-15-13(18)11-8-7-10(19-11)9-16(5-2)6-3/h7-8H,4-6,9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide?
5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide has a molecular weight of 267.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide is sourced from PubChem (CID 56807423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).