N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide

C21H22N2O2 — CID 17337826

IUPACN-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H22N2O2/c24-18-6-5-14-3-1-2-4-17(14)19(18)21(25)23-22-20-15-8-12-7-13(10-15)11-16(20)9-12/h1-6,12-13,15-16,24H,7-11H2,(H,23,25)/b22-20-
InChIKeyXXPNGLFILNINCB-XDOYNYLZSA-N
MW334.42 g/mol
LogP4.09
Rot. Bonds2

About N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide

N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide (PubChem CID 17337826) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide
PubChem CID17337826
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H22N2O2/c24-18-6-5-14-3-1-2-4-17(14)19(18)21(25)23-22-20-15-8-12-7-13(10-15)11-16(20)9-12/h1-6,12-13,15-16,24H,7-11H2,(H,23,25)/b22-20-
InChIKeyXXPNGLFILNINCB-XDOYNYLZSA-N
XLogP4.09
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide
CID 94008914
N-(2-adamantylideneamino)-2-bromobenzamide
CID 4167138
N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
CID 840860
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
N-(2-adamantylideneamino)-4-tert-butylbenzamide
CID 4251492
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302
2-hydroxyphenanthrene-1-carbohydrazide
CID 87840739
N'-(2-hydroxynaphthalene-1-carbonyl)furan-2-carbohydrazide
CID 59999777
N-(4-bromophenyl)-2-hydroxynaphthalene-1-carboxamide
CID 86575073
N'-(2-hydroxynaphthalene-1-carbonyl)pyridine-3-carbohydrazide
CID 153395646
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
(3S,6S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 135851423

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide?
The IUPAC name of N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide (CID 17337826) is N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide is O=C(NN=C1C2CC3CC(C2)CC1C3)c1c(O)ccc2ccccc12.
What is the InChIKey of N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide?
The InChIKey is XXPNGLFILNINCB-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-18-6-5-14-3-1-2-4-17(14)19(18)21(25)23-22-20-15-8-12-7-13(10-15)11-16(20)9-12/h1-6,12-13,15-16,24H,7-11H2,(H,23,25)/b22-20-.
What are the key properties of N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide?
N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-2-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 17337826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).