(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C18H22N2O2 — CID 135956704

IUPAC(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C/c1ccccc1O)C2
InChIInChI=1S/C18H22N2O2/c1-12-17(2,3)14-8-9-18(12,10-14)16(22)20-19-11-13-6-4-5-7-15(13)21/h4-7,11,14,21H,1,8-10H2,2-3H3,(H,20,22)/b19-11+/t14-,18-/m1/s1
InChIKeySFGRYJPIYZKPJI-WLNRYVJDSA-N
MW298.39 g/mol
LogP3.22
Rot. Bonds3

About (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 135956704) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID135956704
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C/c1ccccc1O)C2
InChIInChI=1S/C18H22N2O2/c1-12-17(2,3)14-8-9-18(12,10-14)16(22)20-19-11-13-6-4-5-7-15(13)21/h4-7,11,14,21H,1,8-10H2,2-3H3,(H,20,22)/b19-11+/t14-,18-/m1/s1
InChIKeySFGRYJPIYZKPJI-WLNRYVJDSA-N
XLogP3.22
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 4632511
(1R,4S)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 136912637
(1R,4R)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 135798591
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
methyl 2-[[(1R,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 906543
N-[(2-hydroxyphenyl)methylideneamino]-3-methyladamantane-1-carboxamide
CID 171137430
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086099
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
sodium 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylate
CID 23666915
3,3-dimethyl-2-methylidene-N-(2,4,5-trichlorophenyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 4728586
(1S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 7393392
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 135956704) is (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N/N=C/c1ccccc1O)C2.
What is the InChIKey of (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is SFGRYJPIYZKPJI-WLNRYVJDSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-17(2,3)14-8-9-18(12,10-14)16(22)20-19-11-13-6-4-5-7-15(13)21/h4-7,11,14,21H,1,8-10H2,2-3H3,(H,20,22)/b19-11+/t14-,18-/m1/s1.
What are the key properties of (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 135956704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).