N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

C21H28N2O2 — CID 110510524

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C21H28N2O2/c1-19-8-15-9-20(2,12-19)14-21(10-15,13-19)18(24)23-22-11-16-6-4-5-7-17(16)25-3/h4-7,11,15H,8-10,12-14H2,1-3H3,(H,23,24)/b22-11+
InChIKeyKQEQDMZKZBLRTL-SSDVNMTOSA-N
MW340.47 g/mol
LogP4.14
Rot. Bonds4

About N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 110510524) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
PubChem CID110510524
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCOc1ccccc1/C=N/NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C21H28N2O2/c1-19-8-15-9-20(2,12-19)14-21(10-15,13-19)18(24)23-22-11-16-6-4-5-7-17(16)25-3/h4-7,11,15H,8-10,12-14H2,1-3H3,(H,23,24)/b22-11+
InChIKeyKQEQDMZKZBLRTL-SSDVNMTOSA-N
XLogP4.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.14
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-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136787223
3,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]adamantane-1-carboxamide
CID 45022544
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 4662383
(3R,5R)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136856659
N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510593
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510580
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
5-cyclopropyl-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760855

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (CID 110510524) is N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is COc1ccccc1/C=N/NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is KQEQDMZKZBLRTL-SSDVNMTOSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-19-8-15-9-20(2,12-19)14-21(10-15,13-19)18(24)23-22-11-16-6-4-5-7-17(16)25-3/h4-7,11,15H,8-10,12-14H2,1-3H3,(H,23,24)/b22-11+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 110510524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).