(1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C19H25NO2 — CID 7366719

IUPAC(1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C)ccc1OC)C2
InChIInChI=1S/C19H25NO2/c1-12-6-7-16(22-5)15(10-12)20-17(21)19-9-8-14(11-19)18(3,4)13(19)2/h6-7,10,14H,2,8-9,11H2,1,3-5H3,(H,20,21)/t14-,19-/m1/s1
InChIKeyJOFNLEMTDIZWSX-AUUYWEPGSA-N
MW299.41 g/mol
LogP4.32
Rot. Bonds3

About (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 7366719) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID7366719
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C)ccc1OC)C2
InChIInChI=1S/C19H25NO2/c1-12-6-7-16(22-5)15(10-12)20-17(21)19-9-8-14(11-19)18(3,4)13(19)2/h6-7,10,14H,2,8-9,11H2,1,3-5H3,(H,20,21)/t14-,19-/m1/s1
InChIKeyJOFNLEMTDIZWSX-AUUYWEPGSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 50903596
N'-(2-methoxybenzoyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728572
(1R,4S)-N-(2-methoxyphenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98137952
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
3,3-dimethyl-2-methylidene-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 2972478
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
CID 4728585
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
CID 110438579
1-carbamothioyl-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 80591589
2-(1-aminocyclobutyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 79851412
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxy-5-methylphenyl)-3-methylcyclobutane-1-carboxamide
CID 80593283
1-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)cyclopentane-1-carboxamide
CID 18200173
N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2946426

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 7366719) is (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C)ccc1OC)C2.
What is the InChIKey of (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is JOFNLEMTDIZWSX-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-6-7-16(22-5)15(10-12)20-17(21)19-9-8-14(11-19)18(3,4)13(19)2/h6-7,10,14H,2,8-9,11H2,1,3-5H3,(H,20,21)/t14-,19-/m1/s1.
What are the key properties of (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-(2-methoxy-5-methylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 7366719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).