N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide

C21H31N3O3 — CID 55523239

IUPACN'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C21H31N3O3/c1-3-24(4-2)13-17-5-6-18(27-17)19(25)22-23-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h5-6,14-16H,3-4,7-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyASZYUFDJYVWLLY-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.10
Rot. Bonds6

About N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide

N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide (PubChem CID 55523239) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
PubChem CID55523239
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C21H31N3O3/c1-3-24(4-2)13-17-5-6-18(27-17)19(25)22-23-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h5-6,14-16H,3-4,7-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyASZYUFDJYVWLLY-UHFFFAOYSA-N
XLogP3.10
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.10
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'-propanoylfuran-2-carbohydrazide
CID 56807423
5-(diethylaminomethyl)-N-[1-(hydroxymethyl)cyclopentyl]furan-2-carboxamide
CID 62517028
5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide
CID 47837306
5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
CID 106843281
N-(2-amino-2-oxoethoxy)-5-(diethylaminomethyl)furan-2-carboxamide
CID 112550624
5-[(adamantane-1-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245737
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 47798006
5-(diethylaminomethyl)-N'-[2-(dimethylamino)-5-nitrobenzoyl]furan-2-carbohydrazide
CID 47797811
[5-(diethylaminomethyl)furan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104937
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 43170259
5-(diethylaminomethyl)-N'-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]furan-2-carbohydrazide
CID 55529155
5-(diethylaminomethyl)-N-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 43430673

Frequently Asked Questions

What is the IUPAC name of N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide (CID 55523239) is N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide?
The InChIKey is ASZYUFDJYVWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-24(4-2)13-17-5-6-18(27-17)19(25)22-23-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h5-6,14-16H,3-4,7-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide?
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide has a molecular weight of 373.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide is sourced from PubChem (CID 55523239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).