N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

C22H30N2O — CID 110510593

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O/c1-4-16-5-7-17(8-6-16)12-23-24-19(25)22-11-18-9-20(2,14-22)13-21(3,10-18)15-22/h5-8,12,18H,4,9-11,13-15H2,1-3H3,(H,24,25)/b23-12+
InChIKeyMEAUMHWIKVBOGY-FSJBWODESA-N
MW338.50 g/mol
LogP4.70
Rot. Bonds4

About N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide

N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 110510593) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
PubChem CID110510593
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O/c1-4-16-5-7-17(8-6-16)12-23-24-19(25)22-11-18-9-20(2,14-22)13-21(3,10-18)15-22/h5-8,12,18H,4,9-11,13-15H2,1-3H3,(H,24,25)/b23-12+
InChIKeyMEAUMHWIKVBOGY-FSJBWODESA-N
XLogP4.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 171134360
3,5-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]adamantane-1-carboxamide
CID 110510606
3,5-dimethyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]adamantane-1-carboxamide
CID 46494984
(3R,5S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 135708248
3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 110510634
(1S)-2,2-dichloro-N-[(Z)-(4-ethylphenyl)methylideneamino]-1-methylcyclopropane-1-carboxamide
CID 40618936
N-[(E)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510524
(3R,5R)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136856659
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 4662383
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510580
3,5-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]adamantane-1-carboxamide
CID 45022544
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide (CID 110510593) is N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is CCc1ccc(/C=N/NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is MEAUMHWIKVBOGY-FSJBWODESA-N. The full InChI is InChI=1S/C22H30N2O/c1-4-16-5-7-17(8-6-16)12-23-24-19(25)22-11-18-9-20(2,14-22)13-21(3,10-18)15-22/h5-8,12,18H,4,9-11,13-15H2,1-3H3,(H,24,25)/b23-12+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide?
N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 110510593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).