3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide

C23H32N2O2 — CID 110510634

IUPAC3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide
SMILESCCCOc1ccccc1/C=N/NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C23H32N2O2/c1-4-9-27-19-8-6-5-7-18(19)13-24-25-20(26)23-12-17-10-21(2,15-23)14-22(3,11-17)16-23/h5-8,13,17H,4,9-12,14-16H2,1-3H3,(H,25,26)/b24-13+
InChIKeyOAZGVMHGJVOVNA-ZMOGYAJESA-N
MW368.52 g/mol
LogP4.92
Rot. Bonds6

About 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide

3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide (PubChem CID 110510634) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide
PubChem CID110510634
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide
SMILESCCCOc1ccccc1/C=N/NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C23H32N2O2/c1-4-9-27-19-8-6-5-7-18(19)13-24-25-20(26)23-12-17-10-21(2,15-23)14-22(3,11-17)16-23/h5-8,13,17H,4,9-12,14-16H2,1-3H3,(H,25,26)/b24-13+
InChIKeyOAZGVMHGJVOVNA-ZMOGYAJESA-N
XLogP4.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.92
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)-(2-methoxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 110510524
(3R,5S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 135708248
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide
CID 171137430
N-[(4-hydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 171134360
3,5-dimethyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]adamantane-1-carboxamide
CID 46494984
(3R,5R)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 136856659
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide (CID 110510634) is 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide is CCCOc1ccccc1/C=N/NC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide?
The InChIKey is OAZGVMHGJVOVNA-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-9-27-19-8-6-5-7-18(19)13-24-25-20(26)23-12-17-10-21(2,15-23)14-22(3,11-17)16-23/h5-8,13,17H,4,9-12,14-16H2,1-3H3,(H,25,26)/b24-13+.
What are the key properties of 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide?
3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(E)-(2-propoxyphenyl)methylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 110510634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).