N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide

C30H36N4O4 — CID 3992740

IUPACN-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide
SMILESO=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N4O4/c35-26(31-30-18-21-15-22(19-30)17-23(16-21)20-30)11-12-27(36)32-33-28(37)13-14-29(38)34(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23H,11-20H2,(H,31,35)(H,32,36)(H,33,37)
InChIKeyRFRMRTNDXVROCH-UHFFFAOYSA-N
MW516.64 g/mol
LogP4.14
Rot. Bonds9

About N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide

N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide (PubChem CID 3992740) has the molecular formula C30H36N4O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide
PubChem CID3992740
Molecular FormulaC30H36N4O4
Molecular Weight516.64 g/mol
Exact Mass516.27
IUPAC NameN-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide
SMILESO=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N4O4/c35-26(31-30-18-21-15-22(19-30)17-23(16-21)20-30)11-12-27(36)32-33-28(37)13-14-29(38)34(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23H,11-20H2,(H,31,35)(H,32,36)(H,33,37)
InChIKeyRFRMRTNDXVROCH-UHFFFAOYSA-N
XLogP4.14
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(1-adamantyl)-4-(2-aminophenoxy)butanamide
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1-(1-adamantyl)-3-[3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxopropyl]urea
CID 35930615
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-(1-adamantyl)-2-(2-hydroxyphenoxy)acetamide
CID 78773695
N-(1-adamantyl)-2-(benzhydrylamino)acetamide
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4-[3-(1-adamantylamino)-3-oxopropyl]benzoic acid
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CID 37248010

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide?
The IUPAC name of N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide (CID 3992740) is N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide.
What is the SMILES notation for N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide?
The canonical SMILES for N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide is O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide?
The InChIKey is RFRMRTNDXVROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4/c35-26(31-30-18-21-15-22(19-30)17-23(16-21)20-30)11-12-27(36)32-33-28(37)13-14-29(38)34(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23H,11-20H2,(H,31,35)(H,32,36)(H,33,37).
What are the key properties of N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide?
N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide has a molecular weight of 516.64 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-oxo-4-[2-[4-oxo-4-(N-phenylanilino)butanoyl]hydrazinyl]butanamide is sourced from PubChem (CID 3992740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).