N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide

C22H24N2O2 — CID 7826829

IUPACN'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O2/c25-20(19-6-5-17-3-1-2-4-18(17)10-19)23-24-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,23,25)(H,24,26)
InChIKeyBDDSQJICSCSCSD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.82
Rot. Bonds2

About N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide

N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide (PubChem CID 7826829) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide
PubChem CID7826829
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O2/c25-20(19-6-5-17-3-1-2-4-18(17)10-19)23-24-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,23,25)(H,24,26)
InChIKeyBDDSQJICSCSCSD-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide (CID 7826829) is N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1.
What is the InChIKey of N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide?
The InChIKey is BDDSQJICSCSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-20(19-6-5-17-3-1-2-4-18(17)10-19)23-24-21(26)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,23,25)(H,24,26).
What are the key properties of N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide?
N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide has a molecular weight of 348.45 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(naphthalene-2-carbonyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 7826829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).