N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide

C19H23ClN2O2 — CID 3441069

IUPACN-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H23ClN2O2/c1-11-4-16(20)2-3-17(11)24-10-18(23)21-22-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-4,12-15H,5-10H2,1H3,(H,21,23)/b22-19-
InChIKeyBUXOLGLTBFNUBS-QOCHGBHMSA-N
MW346.86 g/mol
LogP3.96
Rot. Bonds4

About N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide

N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 3441069) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID3441069
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H23ClN2O2/c1-11-4-16(20)2-3-17(11)24-10-18(23)21-22-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-4,12-15H,5-10H2,1H3,(H,21,23)/b22-19-
InChIKeyBUXOLGLTBFNUBS-QOCHGBHMSA-N
XLogP3.96
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
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-(2-adamantylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 5101967
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4620122
2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
CID 3263957
ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9317266
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2-(4-chloro-2-methylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 5050963
2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630844
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide (CID 3441069) is N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)NN=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is BUXOLGLTBFNUBS-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-11-4-16(20)2-3-17(11)24-10-18(23)21-22-19-14-6-12-5-13(8-14)9-15(19)7-12/h2-4,12-15H,5-10H2,1H3,(H,21,23)/b22-19-.
What are the key properties of N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 3441069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).