N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide

C24H28N2O4 — CID 24536119

IUPACN'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide
SMILESCOc1ccc(C23CC4CC(CC(C(=O)NNC(=O)c5ccoc5C)(C4)C2)C3)cc1
InChIInChI=1S/C24H28N2O4/c1-15-20(7-8-30-15)21(27)25-26-22(28)24-12-16-9-17(13-24)11-23(10-16,14-24)18-3-5-19(29-2)6-4-18/h3-8,16-17H,9-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRXQYKDUTXBNFII-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.90
Rot. Bonds4

About N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide

N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide (PubChem CID 24536119) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide
PubChem CID24536119
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide
SMILESCOc1ccc(C23CC4CC(CC(C(=O)NNC(=O)c5ccoc5C)(C4)C2)C3)cc1
InChIInChI=1S/C24H28N2O4/c1-15-20(7-8-30-15)21(27)25-26-22(28)24-12-16-9-17(13-24)11-23(10-16,14-24)18-3-5-19(29-2)6-4-18/h3-8,16-17H,9-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRXQYKDUTXBNFII-UHFFFAOYSA-N
XLogP3.90
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.90
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

(5R,7R)-3-(4-methoxyphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 98138085
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 2835994
2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid
CID 23735496
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxylic acid
CID 98044309
3-(4-methoxyphenyl)-N-piperidin-4-yladamantane-1-carboxamide
CID 130269489
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985
N-(2-cyclopropyl-2-oxoethyl)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 127816461
(5S,7R)-3-(4-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]adamantane-1-carboxamide
CID 34835207
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 24536593
(5R,7R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98139811
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide (CID 24536119) is N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide is COc1ccc(C23CC4CC(CC(C(=O)NNC(=O)c5ccoc5C)(C4)C2)C3)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is RXQYKDUTXBNFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15-20(7-8-30-15)21(27)25-26-22(28)24-12-16-9-17(13-24)11-23(10-16,14-24)18-3-5-19(29-2)6-4-18/h3-8,16-17H,9-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide?
N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 408.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)adamantane-1-carbonyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 24536119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).