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

C19H25NO — CID 830300

IUPAC(1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C)cc(C)c1)C2
InChIInChI=1S/C19H25NO/c1-12-8-13(2)10-16(9-12)20-17(21)19-7-6-15(11-19)18(4,5)14(19)3/h8-10,15H,3,6-7,11H2,1-2,4-5H3,(H,20,21)/t15-,19-/m1/s1
InChIKeyAVBOROZERHAJMZ-DNVCBOLYSA-N
MW283.42 g/mol
LogP4.62
Rot. Bonds2

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

(1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 830300) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID830300
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cc(C)cc(C)c1)C2
InChIInChI=1S/C19H25NO/c1-12-8-13(2)10-16(9-12)20-17(21)19-7-6-15(11-19)18(4,5)14(19)3/h8-10,15H,3,6-7,11H2,1-2,4-5H3,(H,20,21)/t15-,19-/m1/s1
InChIKeyAVBOROZERHAJMZ-DNVCBOLYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 830300) is (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-N-(3,5-dimethylphenyl)-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)cc(C)c1)C2.
What is the InChIKey of (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is AVBOROZERHAJMZ-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-8-13(2)10-16(9-12)20-17(21)19-7-6-15(11-19)18(4,5)14(19)3/h8-10,15H,3,6-7,11H2,1-2,4-5H3,(H,20,21)/t15-,19-/m1/s1.
What are the key properties of (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 830300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).