N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide

C24H33N3O3 — CID 9020837

IUPACN-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide
SMILESCCc1ccc(C(=O)NNC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O3/c1-2-16-5-7-20(8-6-16)22(29)27-26-21(28)4-3-9-25-23(30)24-13-17-10-18(14-24)12-19(11-17)15-24/h5-8,17-19H,2-4,9-15H2,1H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyIWVKPITWONJMIW-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.12
Rot. Bonds7

About N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide

N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide (PubChem CID 9020837) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide
PubChem CID9020837
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide
SMILESCCc1ccc(C(=O)NNC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O3/c1-2-16-5-7-20(8-6-16)22(29)27-26-21(28)4-3-9-25-23(30)24-13-17-10-18(14-24)12-19(11-17)15-24/h5-8,17-19H,2-4,9-15H2,1H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeyIWVKPITWONJMIW-UHFFFAOYSA-N
XLogP3.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8638102
N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide
CID 9401958
N-[4-(3-ethylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9397326
N-[3-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 30870609
N-[2-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 39048961
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 32772042
methyl 5-[4-(adamantane-1-carbonylamino)butanoylamino]thiophene-2-carboxylate
CID 26467634
N-[4-(benzhydrylamino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398026
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide
CID 18190949
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
CID 9398182

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide (CID 9020837) is N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide is CCc1ccc(C(=O)NNC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide?
The InChIKey is IWVKPITWONJMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-2-16-5-7-20(8-6-16)22(29)27-26-21(28)4-3-9-25-23(30)24-13-17-10-18(14-24)12-19(11-17)15-24/h5-8,17-19H,2-4,9-15H2,1H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide?
N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide is sourced from PubChem (CID 9020837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).